View |
|
1,1,1-Tris(4-hydroxyphenyl)ethane |
CHEMBL491936 |
|
306.36 |
|
0 |
False
|
3 |
|
|
|
False |
|
|
|
|
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View |
|
1,2-DIAMINOPROPANE |
CHEMBL1319459 |
1,2-DIAMINOPROPANE, Propylenediamine, 1,2-Propanediamine, 78-90-0, propane-1,2-diamine, 1,2-Propylenediamine, Propylene diamine, 2-Aminopropylamine, 1,2 Diaminopropane, 2,3-Diaminopropane, 1-methylethylenediamine, 1,2-Trimethylenediamine, 1,2-Diamino-n-propane, CCRIS 4863, CHEBI:30630, AOHJOMMDDJHIJH-UHFFFAOYSA-N, EINECS 201-155-9, UN2258, NSC 175731, BRN 0605274, AI3-11523, 10424-38-1, (R)-1,2-PROPANEDIAMINE, 1,2-diamino-propane, 2-methylethylenediamine, AC1L1MTG, AC1Q2BBK, AC1Q2BBL, Propane, 1,2-diamino-, ACMC-1BL7M, DSSTox_CID_1761, methyl-ethane-1,2-diamine, DSSTox_RID_76311, 1-methyl-1,2-ethanediamine, DSSTox_GSID_21761, KSC377I1P, WLN: ZY1&1Z, 117498_ALDRICH, CHEMBL1319459, DTXSID4021761, CTK2H7417, HMDB13136, BB_SC-6623, BB_SC-06623, Tox21_202135, 1,2-Propanediamine, (.+/-.)-, ANW-37241, AR-1L2486, BBL027674, MFCD00008089, NSC175731, STL372705, AKOS000119821, AKOS016042091, FCH2251203, LS-1760, MCULE-2119036110, NSC-175731, RP18338, TRA0033324, UN 2258, CAS-78-90-0, NCGC00090951-01, NCGC00090951-02, NCGC00259684-01, AN-23967, BBV-33118142, CC-02864, KB-10085, OR025421, DB-056342, TC-030713, D0113, FT-0600459, FT-0606336, 1,2-Propylenediamine [UN2258] [Corrosive], EN300-19622, 1,2-Propylenediamine [UN2258] [Corrosive], 95733-EP2284157A1, 95733-EP2289965A1, 95733-EP2292586A2, 95733-EP2305627A1, 146501-EP2374895A1, 4-04-00-01255 (Beilstein Handbook Reference), C-27452, I14-2747, T7101664, B007CB1E-9CAC-43C8-A500-624DA1818ADC, F2191-0283, 68928-99-4, SID17389640 |
74.12 |
-1.7 |
0 |
False
|
1 |
|
9.64 |
-4.22 |
True |
|
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View |
|
1,2-DICHLOROETHANE |
CHEMBL16370 |
1,2-Dichloroethane, 1,2-Dichloro-Ethane, Dichloroethylene |
98.96 |
|
0 |
False
|
1 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
107-06-2 |
View |
|
1,4-Cyclohexanedimethanol |
CHEMBL3185118 |
|
144.21 |
|
0 |
False
|
2 |
|
|
|
True |
|
|
|
|
|
|
|
105-08-8 |
View |
|
1,9-DECADIENE |
CHEMBL31020 |
Deca-1,9-Diene |
138.25 |
4.99 |
0 |
False
|
7 |
|
|
4.99 |
False |
|
|
|
|
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|
View |
|
1-BROMOHEXANE |
CHEMBL3187491 |
Hexyl bromide, n-Hexyl bromide |
165.07 |
3.85 |
0 |
False
|
4 |
|
|
3.85 |
False |
|
|
|
|
|
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View |
|
1-NAPHTHYLISOTHIOCYANATE |
CHEMBL1381098 |
1-Naphthylisothiocyanate, 1-Naphthyl Isothiocyanate, Napthylisothiocyanate |
185.25 |
|
0 |
False
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
2022-1_Drug1 |
|
|
|
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|
False
|
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|
|
False |
|
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View |
|
2022-1_Drug2 |
|
|
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False
|
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|
|
False |
|
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|
View |
|
2022-1_Drug3 |
|
|
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|
|
False
|
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|
|
False |
|
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View |
|
2022-1_Drug4 |
|
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False
|
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|
|
False |
|
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View |
|
2022-1_Drug5 |
|
|
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False
|
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|
|
|
False |
|
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View |
|
2022-1_Drug6 |
|
|
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|
|
False
|
|
|
|
|
False |
|
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View |
|
2022-1_Drug7 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
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|
View |
|
2022-1_Drug8 |
|
|
|
|
|
False
|
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|
|
False |
|
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View |
|
2022-1_Drug9 |
|
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|
|
False
|
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|
|
False |
|
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View |
|
20 pesticide mixture |
|
|
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|
False
|
|
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|
|
False |
|
|
|
|
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|
View |
|
2,2',4,4',5,5'-HEXACHLOROBIPHENYL |
CHEMBL14377 |
2,2',4,4',5,5' Hexachlorobiphenyl, 2,4,5,2',4',5'-Hexachloro-Biphenyl |
360.88 |
|
1 |
False
|
1 |
|
|
|
False |
|
|
|
|
|
|
|
35065-27- |
View |
|
2,2',4,4',5 Pentabromodiphen7l ether |
CHEMBL374400 |
2,2',4,4',5 Pentabromodiphenyl Ether |
564.69 |
|
2 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
2,2,4,4-Tetramethyl-1,3-cyclobutanediol |
CHEMBL3186932 |
|
144.21 |
|
0 |
False
|
0 |
|
|
|
True |
|
|
|
|
|
|
|
3010-96-6 |
View |
|
2,3,7,8-TETRACHLORODIBENZO-P-DIOXIN (TCDD) |
CHEMBL30327 |
2,3,7,8-Tetrachloro-Dibenzo[1,4]Dioxine |
321.97 |
6.29 |
1 |
False
|
0 |
|
|
6.29 |
False |
|
|
|
|
|
|
|
|
View |
|
2,3-DIMETHOXY-1,4-NAPHTHOQUINONE |
CHEMBL402468 |
2,3-Dimethoxy-1,4-naphthoquinone |
218.21 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
6956-96-3 |
View |
|
2,4,6-COLLIDINE |
CHEMBL1209580 |
2,4,6-Trimethylpyridinium, 2,4,6-Collidine |
121.18 |
|
0 |
False
|
0 |
|
|
|
True |
|
|
|
|
|
|
ScreenWell |
108-75-8 |
View |
|
2,4′-Dihydroxydiphenyl Sulfone |
CHEMBL282199 |
SB-269970 |
352.5 |
|
0 |
False
|
5 |
|
|
|
False |
|
|
|
|
|
|
|
5397-34-2 |
View |
|
25-HYDROXYCHOLECALCIFEROL |
CHEMBL1040 |
25-Hydroxycholecalciferol (Calcifediol) |
400.64 |
7.08 |
1 |
False
|
6 |
|
|
7.08 |
False |
|
|
|
|
|
|
|
|
View |
|
2-ACETYLAMINOFLUORENE |
CHEMBL311469 |
2-AAF, 2-Acetylaminofluorene, Acetamidofluorene |
223.27 |
|
0 |
False
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
2-ETHYLHEXYLAMINE |
CHEMBL1319257 |
2-ETHYLHEXYLAMINE, 1-Hexanamine, 2-ethyl-, 104-75-6, Hexylamine, 2-ethyl-, 2-Ethyl hexylamine, 2-Ethyl-1-hexylamine, 1-Amino-2-ethylhexane, 2-Ethylhexanamine, 2-ethyl-hexylamine, 2-ethylhexan-1-amine, Isooctylame, beta-Ethylhexylamine, 1-Amino-2-ethylhexan, CCRIS 4646, 1-Amino-2-ethylhexan [Czech], LTHNHFOGQMKPOV-UHFFFAOYSA-N, EINECS 203-233-8, SBB006745, UN2276, BRN 1209249, AI3-26287, 1-Hexanamine, 2-ethyl-, (2S)-, 2-ethylhexyl amine, Armeen L8D, ACMC-20msfu, 2-ethyl n-hexylamine, 2-ethyl-n-hexylamine, mono-2-ethylhexylamine, .beta.-Ethylhexylamine, 2-Ethyl-1-hexanamine, 3-(aminomethyl)heptane, 2-Ethyl-1-aminohexane, ACMC-1C9ML, DSSTox_CID_5298, AC1L1PE9, DSSTox_RID_77733, DSSTox_GSID_25298, SCHEMBL28690, E29508_ALDRICH, AC1Q2V97, AC1Q2V98, Jsp000465, CHEMBL1319257, DTXSID4025298, CTK0H4576, 127419-44-7, Tox21_200736, 8011AF, ANW-15106, LS-379, MFCD00008148, AKOS000119077, AKOS017278453, MCULE-8640566132, UN 2276, NCGC00090936-01, NCGC00090936-02, NCGC00090936-03, NCGC00258290-01, AN-24694, BC201132, CAS-104-75-6, KB-23701, LP028276, OR034213, TR-001031, E0126, FT-0628973, FT-0695054, ST45255347, 2-Ethylhexylamine [UN2276] [Flammable liquid], 2-Ethylhexylamine [UN2276] [Flammable liquid], 4-04-00-00766 (Beilstein Handbook Reference), I05-0343, F2191-0272, 114272-35-4, SID17389330, SID17389331 |
129.24 |
2.94 |
0 |
False
|
5 |
|
10.75 |
0.03 |
False |
|
|
|
|
|
|
|
|
View |
|
2-ISOPROPYLPHENOL |
CHEMBL30018 |
2-Isopropylphenol, 2-Isopropyl-Phenol |
136.19 |
|
0 |
False
|
1 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
88-69-7 |
View |
|
2-METHYLBUTANOIC ACID |
CHEMBL1160012 |
2-Methylbutanoic acid, 2-METHYLBUTYRIC ACID, 116-53-0, DL-2-Methylbutyric acid, Butanoic acid, 2-methyl-, Ethylmethylacetic acid, Methylbutyric acid, 2-Methyl butyric acid, 2-Methybutyric acid, Methylethylacetic acid, Active valeric acid, Butyric acid, 2-methyl-, (+/-)-2-Methylbutyric acid, 2-methyl-butanoic acid, 2-methylbutanoate, alpha-Methylbutyric acid, 600-07-7, 2-methylbutans, alpha-methyl butyric Acid, Ethylmethylacetate, 2-Ethylpropionate, Valeric acid, active, 2-Ethylpropionic acid, 2-methyl-butyric acid, NSC 7304, D-2-Methyl Butyric acid, DL-2-Methy Butyric acid, .alpha.-Methylbutyric acid, (1)-2-Methylbutyric acid, 2-Methylbutyric acid (VAN), FEMA No. 2695, 2-Methylbutyric acid (natrual), CHEBI:37070, WLAMNBDJUVNPJU-UHFFFAOYSA-N, EINECS 204-145-2, EINECS 209-982-7, Carbomer 941, MFCD00002669, Butyric acid, 2-methyl- (6CI,8CI), BRN 1098537, AI3-24202, DSSTox_CID_1621, DSSTox_RID_76241, DSSTox_GSID_21621, CAS-116-53-0, (+)-2-methylbutanoic acid, Butanoic acid, 2-methyl-, (S)-, Methylbutyricacid, GC Conditioner, cavity conditioner, carbomer-934, Methyl butyric acid, Pemulen TR-1, Pemulen TR-2, Carbopol 910, Carbopol 934, Carbopol 974P, ACMC-20apgr, Carbomer 1342, Carbopol 1342, PAA20 cpd, PAA60 cpd, ethyl methyl acetic acid, AC1Q5RQD, butane-2-carboxylic acid, Butanoicacid, 2-methyl-, Carbomer 934 [USAN], Carbomer 940 [USAN], Carbomer 934p [USAN], AC1L1QQ8, AC1Q2S2W, SCHEMBL49960, 2-Methyl-Butyric Acid Anion, Nat. 2-Methyl Butyric Acid, (RS)-2-methyl-butyric acid, KSC174S5L, MLS001055480, W269506_ALDRICH, W269514_ALDRICH, 193070_ALDRICH, PAA170, CHEMBL1160012, DTXSID5021621, CTK0H4955, HMDB02176, NSC7304, (.+/-.)-2-Methylbutanoic acid, HMS2270O06, LTBB002136, 2-METHYLBUTANOIC ACID (DL), NSC-7304, NATURAL 2-METHYLBUTYRIC ACID, Tox21_201807, Tox21_303584, ANW-16971, AR-1E3900, LMFA01020072, Butanoic acid, 2-methyl-, (+ -), AKOS000121120, AKOS016843247, DL-ALPHA-METHYL-N-BUTYRIC ACID, LS-2915, MCULE-5615925204, RP18771, TRA0047814, VC31128, NCGC00090971-01, NCGC00090971-02, NCGC00257513-01, NCGC00259356-01, AK-77434, AM802977, AN-21587, AN-22760, AN-49786, KB-25100, LS-14739, OR129719, OR129720, OR206578, SC-22738, SMR000112113, AB1011869, DB-003300, KB-231694, TR-032178, TR-033536, FT-0604458, FT-0605255, FT-0671578, M0181, ST24028102, C18319, 4-02-00-00889 (Beilstein Handbook Reference), A811487, I04-0220, T7100046, I04-12788, F0001-0289, 2-Methylbutanoate |
102.13 |
1.05 |
0 |
False
|
2 |
4.8 |
|
-1.52 |
True |
|
|
|
|
|
|
|
|
View |
|
2-NBDG |
|
2-Deoxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-D-glucose |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
186689-07-6 |
View |
|
2-NITROANILINE |
CHEMBL274009 |
SID17388826, 2-Nitro-Phenylamine, 2-Nitroaniline |
138.12 |
1.67 |
0 |
False
|
1 |
|
|
1.67 |
False |
|
|
|
|
|
|
|
|
View |
|
(2R,3R,4S,5R)-3,4,5,6-Tetrahydroxy-2-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]hexanal |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
3,3′,5,5′-Tetrabromobisphenol A |
CHEMBL184450 |
3,3',5,5'-Tetrabromobisphenol A |
543.87 |
|
2 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
79-94-7 |
View |
|
3-ISOPROPYLPHENOL |
CHEMBL449684 |
3-Isopropylphenol |
136.19 |
|
0 |
False
|
1 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
618-45-1 |
View |
|
3-NITROANILINE |
CHEMBL14068 |
3-Nitro-Phenylamine, 3-Nitroaniline, SID17388902, SID24827804 |
138.12 |
1.34 |
0 |
False
|
1 |
|
2.46 |
1.34 |
False |
|
|
|
|
|
|
|
|
View |
|
3R14S-OCHRATOXIN A |
CHEMBL589366 |
SID26755748, SID26755747 |
403.81 |
4.37 |
0 |
False
|
5 |
3.29 |
|
0.61 |
False |
|
|
|
|
|
|
|
|
View |
|
4,4'-METHYLENEDIANILINE |
CHEMBL85728 |
SID26752924, 4,4'-Diaminodiphenylmethane, SID17389506, SID87334331 |
198.26 |
1.7 |
0 |
False
|
2 |
|
5.32 |
1.69 |
True |
|
|
|
|
|
|
|
|
View |
|
4,4′-Sulfonylbis[2-(2-propenyl)phenol |
CHEMBL1322154 |
|
330.41 |
|
0 |
False
|
6 |
|
|
|
False |
|
|
|
|
|
|
|
41481-66-7 |
View |
|
4,4′-Thiodiphenol |
CHEMBL3183502 |
|
218.28 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
4-cumylphenol |
CHEMBL194805 |
|
212.29 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
599-64-4 |
View |
|
4-HYDROXYCYCLOPHOSPHAMIDE |
CHEMBL731 |
4-Hydroxycyclophosphamide |
277.09 |
0.01 |
0 |
True
|
5 |
12.98 |
1.34 |
0.01 |
False |
|
|
|
|
|
|
|
|
View |
|
4'-HYDROXY-DICLOFENAC |
CHEMBL1030 |
4'-Hydroxy-Diclofenac |
312.15 |
3.97 |
0 |
False
|
4 |
4.18 |
|
0.85 |
False |
|
|
|
|
|
|
|
|
View |
|
4'-HYDROXYTAMOXIFEN |
CHEMBL486 |
4'-Hydroxytamoxifen |
387.52 |
|
1 |
False
|
8 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
4-ISOPROPYLPHENOL |
CHEMBL29966 |
4-Isopropylphenol, 4-Isopropyl-Phenol |
136.19 |
|
0 |
False
|
1 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
99-89-8 |
View |
|
4-NITROANILINE |
CHEMBL14282 |
p-Nitroaniline, 1-Amino-4-nitrobenzene, SID17389796, SID85148777 |
138.12 |
1.2 |
0 |
False
|
1 |
|
1.01 |
1.2 |
False |
|
|
|
|
|
|
|
|
View |
|
4-Phenylphenol (Biphenylphenol) |
CHEMBL73380 |
4-Hydroxybiphenyl, 4-Phenylphenol |
170.21 |
|
0 |
False
|
1 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
4-tert-Butylphenol |
CHEMBL16217 |
4-Tert-Butylphenol |
150.22 |
|
0 |
False
|
0 |
|
|
|
True |
|
|
|
|
|
|
|
98-54-4 |
View |
|
6BETA-HYDROXYTESTOSTERONE |
CHEMBL2074878 |
6beta-hydroxytestosterone |
304.42 |
1.74 |
0 |
False
|
0 |
13.99 |
|
1.74 |
False |
|
|
|
|
|
|
|
|
View |
|
6-Carboxyfluorescein |
CHEMBL1614944 |
5(6)-Carboxyfluorescein |
376.32 |
|
0 |
False
|
1 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
6-NBDG |
|
6-NBD-Glucose, 6-deoxy-6-[(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]-D-glucose |
342.3 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
108708-22-1 |
View |
|
7-Hydroxycoumarin glucuronide |
CHEMBL1528022 |
|
338.27 |
-1.33 |
0 |
False
|
3 |
2.76 |
|
-5.05 |
False |
|
|
|
|
|
|
|
|
View |
|
A-443654 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ABACAVIR |
CHEMBL1380 |
Abacavir, ABACAVIR, Epzicom, Ziagen, ZIAGEN |
286.34 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
136470-78-5 |
View |
|
ACALABRUTINIB |
CHEMBL3707348 |
ACALABRUTINIB, ACP-196, CALQUENCE |
465.52 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ACARBOSE |
CHEMBL1566 |
ACARBOSE, BAY G 5421, Glucobay, Precose, Acarbose |
645.6 |
-7.94 |
3 |
True
|
9 |
12.02 |
6.06 |
-7.95 |
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
ACENOCOUMAROL |
CHEMBL397420 |
ACENOCOUMARIN, ACENOCOUMAROL, NICOUMALONE, SINTHROME, Acenocoumarol |
353.33 |
|
0 |
True
|
5 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
152-72-7 |
View |
|
ACETALDEHYDE |
CHEMBL170365 |
Acetaldehyde |
44.05 |
-0.11 |
0 |
False
|
0 |
|
|
-0.11 |
True |
|
|
|
|
|
|
|
|
View |
|
ACETAMINOPHEN |
CHEMBL112 |
APAP, SID11112253, Acetaminophen, Infants' Feverall, SID104171293, SID17390068, Acephen, Neopap, Ofirmev, SID56422763, Tylenol, SID11114188, Datril, SID26747171, SID124882135, Injectapap, Phenaphen, Paracetamol |
151.16 |
0.48 |
0 |
True
|
1 |
9.86 |
1.72 |
0.47 |
True |
|
|
|
|
|
Bioavail=75%, T1/2=3 hr, Excr=95% kidney, Met=25% first pass clearance, glucuronide & sulfation, reactive metabolite |
O'Brien |
|
View |
|
ACETIC ACID |
CHEMBL539 |
ACETASOL, ACETIC ACID, ACETIC ACID, GLACIAL, Acetasol, Acetic Acid, Acetic Acid, Glacial, Acetic acid, E260, ORLEX, Orlex, VOSOL, Vosol |
60.05 |
-0.32 |
0 |
True
|
0 |
4.79 |
|
-2.9 |
True |
|
|
|
|
|
|
|
|
View |
|
ACETYLCHOLINE |
CHEMBL667 |
Acetylcholine, ACETYLCHOLINE |
146.21 |
|
0 |
True
|
3 |
|
|
|
True |
|
|
|
|
|
|
|
51-84-3 |
View |
|
ACETYLCYSTEINE |
CHEMBL600 |
5052, ACC-600, Acetadote, ACETYLCYSTEINE, A-CYS, AIRBRON, CETYLEV, EN-CYS, FABROL, FLUIMUCIL, FLUIMUCIL 600, FLUIMUCIL LONG, FLUIMUCIL N, ILUBE, Mucomyst, Mucosil, MUCOSIL-10, MUCOSIL-20, N-Acetyl-L-Cysteine, N-ACETYL-L-CYSTEINE, NSC-111180, ORONAC 600, PARVOLEX, RESPI-NAC, RK-0202, SIRAN, SOLMUCOL, YOURNAC, Acetylcysteine |
163.2 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
616-91-1 |
View |
|
ACITRETIN |
CHEMBL1131 |
Acitretin, SID26756475, Soriatane, SID49640651, Ro-10-1670-000, SID29216416, Etretin, Ro-101670000 |
326.43 |
6.0 |
1 |
True
|
6 |
4.72 |
|
3.36 |
False |
|
|
|
|
|
|
|
|
View |
|
ADC antibody |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ADIPIC ACID |
CHEMBL1157 |
ADIPIC ACID, E355, Adipic acid |
146.14 |
|
0 |
False
|
5 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
124-04-9 |
View |
|
AFIMOXIFENE |
CHEMBL489 |
4-Hydroxytamoxifen |
387.52 |
|
1 |
True
|
8 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
aflatoxin |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
AFLATOXIN |
CHEMBL1697694 |
Aflatoxin B1, Aflatoxin B1, Aflatoxin B2, Aflatoxin G1 |
312.28 |
|
0 |
False
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
1402-68-2 |
View |
|
AFLATOXIN B2 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
AFLATOXIN G1 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
AIP |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
Albumin |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ALBUTEROL |
CHEMBL714 |
Accuneb, Salbutamol, PROVENTIL-HFA, Combivent, Ventolin Hfa, Albuterol, SID104171238, Ventolin, Proventil Hfa, SID90340718, Volmax, SID90341530, Duoneb, Proair Hfa, Proventil, SID50104505 |
239.31 |
3.45 |
0 |
True
|
5 |
13.45 |
|
3.45 |
False |
|
|
|
|
|
|
|
|
View |
|
ALCOHOL |
CHEMBL545 |
ALCOHOL, ALCOHOL, DILUTED, ALCOHOL, RUBBING, Alcohol, Alcohol, Diluted, Alcohol, Rubbing, E1510, ETHANOL, ETHYL ALCOHOL, Ethanol, Ethyl Alcohol |
46.07 |
-0.18 |
0 |
True
|
0 |
|
|
-0.18 |
True |
|
|
|
|
|
|
O'Brien |
|
View |
|
ALDRIN |
CHEMBL195953 |
SID17390058, SID26747402 |
364.91 |
6.23 |
0 |
False
|
0 |
|
|
6.23 |
False |
|
|
|
|
|
|
|
|
View |
|
ALLISAN (DICHLORAN) |
CHEMBL504381 |
Dichloran, SID26752981, SID56436639, Allisan, SID17389937 |
207.01 |
2.83 |
0 |
False
|
1 |
|
|
2.83 |
False |
|
|
|
|
|
|
|
|
View |
|
ALLOXAN |
CHEMBL1096009 |
Alloxan |
142.07 |
|
0 |
False
|
0 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
50-71-5 |
View |
|
ALLYL ALCOHOL |
CHEMBL234926 |
Allyl Alcohol, Ally alcohol |
58.08 |
|
0 |
False
|
1 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
107-18-6 |
View |
|
ALOGLIPTIN |
CHEMBL376359 |
Alogliptin |
339.39 |
4.76 |
0 |
True
|
3 |
9.59 |
|
4.76 |
False |
|
|
|
|
|
|
|
|
View |
|
ALOSETRON |
CHEMBL1110 |
Alosetron, Lotronex |
294.35 |
0.55 |
0 |
True
|
2 |
7.13 |
|
0.02 |
True |
|
|
|
|
|
|
|
|
View |
|
ALOSETRON HYDROCHLORIDE |
CHEMBL1200885 |
SID144206078, SID49681825, Alosetron HCl, GR-68755C, Lotronex |
330.81 |
0.55 |
0 |
True
|
2 |
7.13 |
|
0.02 |
True |
|
|
|
|
|
|
|
|
View |
|
ALPHA-CYPERMETHRIN |
CHEMBL373204 |
SID124892259, SID26756819, Alpha-Cypermethrin, SID26754616, SID26754615, Cypermethrin |
416.3 |
6.41 |
1 |
True
|
7 |
|
|
6.41 |
False |
|
|
|
|
|
|
|
|
View |
|
ALPIDEM |
CHEMBL54349 |
SL 80.0342-00, SID144207142, Alpidem |
404.33 |
6.27 |
1 |
True
|
7 |
|
4.75 |
6.27 |
False |
|
|
|
|
|
|
|
|
View |
|
AMANTADINE |
CHEMBL660 |
SID90340894, SID104171100, SID50110918, Amantadine, Symadine, SID26755640, TCMDC-125869, SID11110715, SID26755641, SID50110919, Symmetrel |
151.25 |
2.44 |
0 |
True
|
0 |
|
10.76 |
-0.47 |
True |
|
|
|
|
|
|
|
|
View |
|
AMBRISENTAN |
CHEMBL1111 |
Ambrisentan, AMBRISENTAN, GSK1325760, GSK-1325760, GSK1325760A, GSK-1325760A, Letairis, LU-208075, VOLIBRIS |
378.43 |
|
0 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
|
177036-94-1 |
View |
|
AMILORIDE |
CHEMBL945 |
Amiloride, SID104171108, SID11110775, SID26751628, SID90341609, SID124879263, SID26751629, Hydro-Ride, Midamor, SID11113372, SID49645530, SID124879259 |
229.63 |
3.14 |
0 |
True
|
2 |
|
8.28 |
2.97 |
False |
|
|
|
|
|
|
|
|
View |
|
AMINEPTINE |
CHEMBL418995 |
Amineptine |
337.46 |
|
0 |
True
|
8 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
AMINOBENZOIC ACID |
CHEMBL542 |
4-Aminobenzoic Acid, Aminobenzoic Acid, AMINOBENZOIC ACID, PABA, PARA-AMINOBENZOIC ACID, RVPaba Lipstick, Aminobenzoate |
137.14 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
1321-11-5 |
View |
|
AMINOETHYLPIPERAZINE |
CHEMBL209790 |
140-31-8, N-Aminoethylpiperazine, 1-(2-Aminoethyl)piperazine, N-(2-Aminoethyl)piperazine, 2-(piperazin-1-yl)ethanamine, 1-Piperazineethanamine, Aminoethylpiperazine, 1-AMINOETHYLPIPERAZINE, 2-piperazin-1-ylethanamine, 1-Piperazineethylamine, Piperazine, 1-(2-aminoethyl)-, 2-Piperazin-1-ylethylamine, USAF DO-46, 2-Piperazinoethylamine, 2-Piperazinylethylamine, Piperazineethanamine, N-(Aminoethyl)piperazine, NSC 38968, 2-(1-Piperazinyl)ethylamine, N-(beta-Aminoethyl)piperazine, MLS000736991, CCRIS 6678, UNII-I86052F9F6, HSDB 5630, N-(.beta.-Aminoethyl)piperazine, IMUDHTPIFIBORV-UHFFFAOYSA-N, EINECS 205-411-0, MFCD00005971, UN2815, BRN 0104363, AI3-52274, DSSTox_CID_1997, 1-[2-Aminoethyl]piperazine, DSSTox_RID_76450, DSSTox_GSID_21997, W-109074, CAS-140-31-8, aminoethyl piperazine, 2-aminoethylpiperazine, PubChem8568, N-AEe, 1-Piperazine ethanamine, ACMC-209ckj, N-2-aminoethylpiperazine, AC1L1RPS, labotest-bb ltbb000498, 4-(2-aminoethyl)piperazine, akos bbs-00004342, 2-piperazin-1-yl-ethylamine, SCHEMBL17210, A55209_ALDRICH, N-(2-amino ethyl)piperazine, N-(2-aminoethyl)-piperazine, WLN: T6M DNTJ D2Z, N-(beta-aminoethyl)-piperazine, 1-(2-aminoethyl)- piperazine, AC1Q54L5, AC1Q54L6, CHEMBL209790, D.E.H. 39 (Salt/Mix), 2-(1-Piperazinyl)ethanamine #, DTXSID2021997, CTK0H5822, 67786-00-9 (monoacetate), BB_SC-6469, 2-(piperazin-1-yl)ethan-1-amine, BB_SC-06469, NSC38968, ZX-AN036946, Tox21_202230, Tox21_302922, ANW-20561, AR-1C5390, BBL011596, NSC-38968, SBB004229, STL163329, ZINC19230120, AKOS000118842, AM81364, CS11705, FCH2251086, I86052F9F6, LF-0556, MCULE-5452598420, TRA0066121, UN 2815, NCGC00249192-01, NCGC00256327-01, NCGC00259779-01, AJ-72628, AK-59134, AN-23175, BBV-33118078, BR-59134, CC-32409, HE009479, HE253587, HE309798, HE331770, KB-25978, SC-46366, SMR000393948, DB-016170, LS-110237, ST2409409, TC-010748, A0304, ST45255378, N-Aminoethylpiperazine [UN2815] [Corrosive], M-6025, N-Aminoethylpiperazine [UN2815] [Corrosive], 5-23-01-00257 (Beilstein Handbook Reference), C-35083, I13-0147, T7101672, F2191-0297, InChI=1/C6H15N3/c7-1-4-9-5-2-8-3-6-9/h8H,1-7H, 1-(2-aminoethyl)piperazine; N-(2-Aminoethyl)piperazine; 4-(2-Aminoethyl)piperazine, 28631-79-0 |
129.2 |
-0.11 |
0 |
False
|
2 |
|
10.11 |
-3.79 |
True |
|
|
|
|
|
|
|
|
View |
|
AMINOHIPPURIC ACID |
CHEMBL463 |
Aminohippuric acid, Aminohippuric Acid, AMINOHIPPURIC ACID, NSC-13064, PAHA, P-AMINOHIPPURIC ACID, PARA-AMINOHIPPURIC ACID |
194.19 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
AMINOSALICYLIC ACID |
CHEMBL1169 |
4-AMINOSALICYLIC ACID, Aminosalicylic Acid, AMINOSALICYLIC ACID, AMINOSALICYLIC ACID RESIN COMPLEX, GRANUPAS, NSC-2083, P-AMINOSALICYLIC ACID, PARA-AMINOSALICYLIC ACID, Parasal, PAS, Paser, Paskalium, REZIPAS, Teebacin, Aminosalycilate |
153.14 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
AMIODARONE |
CHEMBL633 |
AMIODARONE, Amiodarone, CORDARONE, Cordarone, L-3428, Pacerone, SKF 33134-A, AmiodaroneHCl |
645.31 |
7.82 |
2 |
False
|
11 |
|
9.37 |
5.87 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
AMITRIPTYLINE |
CHEMBL629 |
Amitriptyline, Limbitrol, Endep, Amitril, Etrafon-A, Elavil, Tryptanol, SID11110782, Amitid, Etrafon-Forte, SID90340850, SID11110783, AmitriptylineHCl |
277.4 |
4.41 |
0 |
True
|
3 |
|
9.18 |
2.65 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
AMODIAQUINE |
CHEMBL682 |
AMODIAQUIN, Amodiaquine, AMODIAQUINE, GNF-Pf-5648, NSC-13453, SJ000110703 |
355.87 |
|
1 |
True
|
6 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
86-42-0 |
View |
|
AMPROLIUM |
CHEMBL1179735 |
|
243.33 |
1.81 |
0 |
False
|
4 |
|
7.83 |
1.4 |
False |
|
|
|
|
|
|
|
|
View |
|
AMPROLIUM CHLORIDE |
CHEMBL97350 |
Amprolium, Mepyrium, Amprocidum |
278.78 |
1.81 |
0 |
True
|
4 |
|
7.83 |
1.4 |
False |
|
|
|
|
|
|
|
|
View |
|
ANTIMYCIN A |
CHEMBL211501 |
SID124883056, SID26754304, SID124883058, SID26754306 |
548.63 |
4.19 |
1 |
False
|
12 |
7.28 |
1.29 |
3.97 |
False |
|
|
|
|
|
|
|
|
View |
|
APROTININ |
CHEMBL1201619 |
RP-9921, Riker 52G, Aprotinin, BAYER-A-128, Trasylol |
|
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ARISTOLOCHIC ACID |
CHEMBL93353 |
Aristolochic Acid I, SID26753782, SID93576958, SID76752 |
341.27 |
2.92 |
0 |
False
|
3 |
2.99 |
|
-0.21 |
False |
|
|
|
|
|
|
|
|
View |
|
ARSENIC |
CHEMBL1231052 |
Arsenic |
77.95 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
AS601245 |
CHEMBL191384 |
AS-601245 |
372.46 |
|
0 |
False
|
5 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ASCORBIC ACID |
CHEMBL196 |
ASCOR, Ascorbic Acid, ASCORBIC ACID, ASCORBIC ACID (VIT C), Ascorbicap, ASCUR, BASSETT'S, Cebione, Cecon, Cenolate, Cetane, Cetane-Caps TC, Cevalin, Cevex, CEVITAMIC ACID, E300, E-300, FEMA NO. 2109, HALIBORANGE, INS-300, INS NO.300, NSC-218455, NSC-33832, REDOXON, REDOXON C, REDOXON CHEW-C, REDOXON SLOW RELEASE, TOP C, VITAL LIFE, Vitamin C, VITAMIN C, Ascorbate, Ascorbic acid |
176.12 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
50-81-7 |
View |
|
ASPARTAME |
CHEMBL171679 |
APM, Aspartame, ASPARTAME, E951, SC-18862 |
294.31 |
|
0 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
22839-47-0 |
View |
|
ASPIRIN |
CHEMBL25 |
Acetosalic Acid, Acetylsalicylic Acid, SID87798, SID17390036, Measurin, Ecotrin, SID85230910, SID26752858, 8-Hour Bayer, Salicylic Acid Acetate, SID90340586, SID47193676, SID17389202, Aspirin, Bayer Extra Strength, Equi-Prin, SID26747283, SID50105490, Acetylsalicylic acid |
180.16 |
1.4 |
0 |
True
|
3 |
3.48 |
|
-1.68 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
ASTEMIZOLE |
CHEMBL296419 |
SID56422418, SID26751496, Astemizole, GNF-Pf-2461, R-43512, SID26751497, SID124882662, SID11112828, SID104171329, SID26746979, SID144204231, Hismanal, SID124882660, SID855746 |
458.57 |
5.26 |
1 |
True
|
8 |
13.71 |
3.79 |
5.26 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
ASUNAPREVIR |
CHEMBL2105735 |
ASUNAPREVIR, BMS 650032, BMS-650032, SUNVEPRA |
748.3 |
|
1 |
True
|
11 |
|
|
|
False |
|
|
|
|
|
|
|
630420-16-5 |
View |
|
AT7867 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ATENOLOL |
CHEMBL24 |
Esatenolol, Unibloc, SID50104387, Tenormin, ICI-66082, SID90340978, SID855957, SID26751696, Atenolol, SID50085956, Ibinolo |
266.34 |
0.34 |
0 |
True
|
8 |
13.88 |
9.43 |
-1.76 |
False |
|
|
|
|
|
|
|
|
View |
|
ATORVASTATIN |
CHEMBL1487 |
SID29215408, Atorvastatin, SID124892211, Lipitor, Atorvastatin hemicalcium salt |
558.64 |
2.68 |
2 |
True
|
12 |
11.68 |
|
2.68 |
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
AZATHIOPRINE |
CHEMBL1542 |
Azasan, SID90340846, Azathioprine, BW-57-322, Imuran, SID50105468, SID85230906 |
277.26 |
0.02 |
0 |
True
|
3 |
8.29 |
1.39 |
-0.03 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
AZD9496 |
CHEMBL3623004 |
|
442.48 |
4.42 |
1 |
True
|
5 |
4.08 |
7.09 |
1.62 |
False |
|
|
|
|
|
|
|
|
View |
|
AZIDE |
CHEMBL79455 |
|
42.02 |
|
0 |
False
|
0 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
AZITHROMYCIN |
CHEMBL529 |
Azasite, Azithromycin, Azithromycin Dihydrate, CP-62993, Sumamed, Sunamed, XZ-450, ZMax, Zithromax |
748.98 |
0.89 |
2 |
True
|
7 |
8.89 |
2.58 |
0.88 |
False |
|
|
|
|
|
|
|
|
View |
|
BACITRACIN |
CHEMBL1200558 |
Baciferm 50, Albac 50, Bacitracin, E700, Baciim, Baci-Rx, Baciguent |
1422.69 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
BACLOFEN |
CHEMBL701 |
BA-34647, BA-34,647, BACLOFEN, BACLOSPAS-10, GABLOFEN, Kemstro, Lioresal, LIORESAL INTRATH, LYFLEX, OZOBAX, ()-Baclofen |
213.66 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
1134-47-0 |
View |
|
BAMBUTEROL |
CHEMBL521589 |
Bambuterol, SID56463628 |
367.44 |
2.06 |
0 |
True
|
8 |
|
|
2.06 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
BARICITINIB |
CHEMBL2105759 |
BARICITINIB, INCB028050, INCB-28050, LY-3009104, OLUMIANT |
371.43 |
|
0 |
True
|
5 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
BENDAZAC |
CHEMBL1089221 |
AF-1934, Bendazac, Bindazac, SID50112715 |
282.29 |
3.9 |
0 |
True
|
5 |
9.94 |
1.9 |
3.9 |
False |
|
|
|
|
|
|
|
|
View |
|
BENOXAPROFEN |
CHEMBL340978 |
Benoxaprofen, Compound 90459, Oraflex |
301.72 |
3.72 |
0 |
True
|
3 |
4.36 |
0.38 |
1.09 |
False |
|
|
|
|
|
|
|
|
View |
|
BENZALKONIUM CHLORIDE |
CHEMBL502109 |
Alkylbenzyldimethylammonium Cl, Ark Klens, BENZALKONIUM CHLORIDE, Hyamine 3500, Myosan, ROCCAL, Roccal, ZEPHIRAN CHLORIDE, Zephiran |
354.01 |
8.09 |
1 |
False
|
14 |
12.77 |
7.52 |
7.7 |
False |
|
|
|
|
|
|
|
|
View |
|
BENZARONE |
CHEMBL1474963 |
SID24424590, L-2197, Benzarone |
266.29 |
4.73 |
0 |
True
|
3 |
7.68 |
|
4.54 |
False |
|
|
|
|
|
|
|
|
View |
|
BENZENE |
CHEMBL277500 |
SID17390025, SID26757302, SID26757303, SID17389168, Benzene |
78.11 |
2.18 |
0 |
False
|
0 |
|
|
2.18 |
True |
|
|
|
|
|
|
|
|
View |
|
BENZENESULFONYL CHLORIDE |
CHEMBL1479161 |
BENZENESULFONYL CHLORIDE, 98-09-9, Phenylsulfonyl chloride, Benzene sulfochloride, Benzenesulfonic chloride, Benzenosulfochloride, Benzene sulfonechloride, Benzenosulfochlorek, Benzenesulphonyl chloride, Benzolsulfochloride, Benzenesulfochloride, Benzenesulfonic acid chloride, Benzenesulfonic(acid)chloride, BSC-refine D, Benezenesulfochloride, Benzenosulphochloride, phenylsulfonylchloride, Benzenesulfon chloride, BENZENE SULFONYL CHLORIDE, phenyl sulfonyl chloride, NSC 2864, Benzene sulphonyl chloride, UNII-OI9V0QJV9N, RCRA waste no. U020, RCRA waste number U020, benzene-1-sulfonyl chloride, Benzenosulfochlorek [Polish], Benzenesulfonic (acid) chloride, HSDB 6004, chlorophenylsulfone, CSKNSYBAZOQPLR-UHFFFAOYSA-N, EINECS 202-636-6, SBB040880, UN2225, BRN 0606926, AI3-18043, 114415-79-1, benzolsulfonylchlorid, Benzenesulfonylchloride, benzensulfonyl chloride, benzenesulphonylchloride, benzene sulfonylchloride, benzenesulfonyl-chloride, phenylsulphonyl chloride, benzenesuIfonyl chloride, PubChem10441, phenyl-sulfonyl chloride, benzene sulphonylchloride, benzenesulfonoyl chloride, benzene-sulfonyl chloride, WLN: WSGR, AC1L1OLS, AC1Q3VLY, 4-benzenesulfonyl chloride, DSSTox_CID_6619, OI9V0QJV9N, 4-benzene sulfonyl chloride, AC1Q6V2L, DSSTox_RID_78165, DSSTox_GSID_26619, SCHEMBL17223, Sulfonyl chloride polymer-bound, 108111_ALDRICH, 108138_ALDRICH, CHEMBL1479161, DTXSID1026619, NSC2864, BENZENESULFONYL CHLORIDE KIT, NSC-2864, ZINC8100887, ZX-AT020116, Tox21_200143, ANW-13664, AR-1H8866, AR3950, MFCD00007426, STL283941, Benzenesulfonyl chloride polymer-bound, AKOS000118823, BBV-266360, EBD2202248, FCH2254761, MCULE-6288986714, OR16621, RP23822, TRA0097403, CAS-98-09-9, NCGC00090988-01, NCGC00090988-02, NCGC00090988-03, NCGC00090988-04, NCGC00257697-01, AN-24476, BC204660, KB-47565, LS-32134, OR034584, SC-65367, BB0295473, B0036, B1211, FT-0622639, ST50214477, 9585-EP2308872A1, 9585-EP2316829A1, 22543-EP2275407A1, 22543-EP2275412A1, 22543-EP2277880A1, 22543-EP2280000A1, 22543-EP2284157A1, 22543-EP2292593A2, 22543-EP2292610A1, 22543-EP2295406A1, 22543-EP2295414A1, 22543-EP2295416A2, 22543-EP2295433A2, 22543-EP2298738A1, 22543-EP2298748A2, 22543-EP2298779A1, 22543-EP2301918A1, 22543-EP2305646A1, 22543-EP2311842A2, 22543-EP2314581A1, 22543-EP2314593A1, 38267-EP2270006A1, 38267-EP2311802A1, 60463-EP2298734A2, 60463-EP2308873A1, Benzene sulfonyl chloride [UN2225] [Corrosive], 112943-EP2295437A1, 112943-EP2298775A1, A845807, Benzene sulfonyl chloride [UN2225] [Corrosive], Amberlite® XE-305 sulfonic acid chloride form, I01-1994, F2190-0562, I14-111457, InChI=1/C6H5ClO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5, SID17389166 |
176.62 |
1.4 |
0 |
False
|
1 |
|
|
1.4 |
True |
|
|
|
|
|
|
|
|
View |
|
BENZIDINE |
CHEMBL15901 |
SID17390024, SID87334335, Benzidine |
184.24 |
1.68 |
0 |
False
|
1 |
|
4.7 |
1.68 |
True |
|
|
|
|
|
|
|
|
View |
|
BENZIODARONE |
CHEMBL232201 |
L-2329, SID29216089, SID144205346, Benziodarone |
518.08 |
4.78 |
2 |
True
|
3 |
4.83 |
|
2.31 |
False |
|
|
|
|
|
|
|
|
View |
|
BENZO (A) PYRENE |
CHEMBL31184 |
Benzo[A]Pyrene, Benzo[Def]Chrysene, SID89854989, SID84204, Benzo[A]-Pyrene, Benzopyrene |
252.31 |
6.19 |
0 |
False
|
0 |
|
|
6.19 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
BENZOIC ACID |
CHEMBL541 |
Benzoate, Benzoic Acid, BENZOIC ACID, E210, WHITFIELD'S, Benzoic acid |
122.12 |
|
0 |
True
|
1 |
|
|
|
True |
|
|
|
|
|
|
ScreenWell |
65-85-0 |
View |
|
Benzophenone-4 |
|
|
308.30984 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
4065-45-6 |
View |
|
Benzyl-4-hydroxybenzoate |
CHEMBL447861 |
4-Hydroxy Benzoic Acid Benzyl Ester |
228.25 |
|
0 |
False
|
3 |
|
|
|
True |
|
|
|
|
|
|
|
94-18-8 |
View |
|
Benzyl butyl phthalate |
CHEMBL1450327 |
|
312.37 |
|
0 |
False
|
7 |
|
|
|
False |
|
|
|
|
|
|
|
85-68-7 |
View |
|
BENZYL CHLOROFORMATE |
CHEMBL1581748 |
BENZYL CHLOROFORMATE, 501-53-1, Benzyl carbonochloridate, Carbobenzoxy chloride, Cbz chloride, Benzyl chlorocarbonate, Benzyloxycarbonyl chloride, Carbobenzyloxy chloride, Benzylcarbonyl chloride, Carbonochloridic acid, phenylmethyl ester, Chloroformic acid, benzyl ester, Cbz-Cl, Chloroformic Acid Benzyl Ester, Benzylcarbonochloridate, Carboobenzoxy Chloride, Z-Cl, benzyloxycarbonylchloride, Formic acid, chloro-, benzyl ester, phenylmethyl chloroformate, NSC 83466, (benzyloxy)carbonyl chloride, UNII-170BP0DD31, CCRIS 2599, HSDB 364, HSDAJNMJOMSNEV-UHFFFAOYSA-N, EINECS 207-925-0, MFCD00000640, UN1739, Q-200698, Benzyl chloroformate-(carbonyl-13C), Bzcf, Cbz-chloride, Z-chloride, benzyl chioroformate, benzyl-chloroformate, benzylchloro-formate, benzylchlorocarbonate, carbobenzyloxychloride, Benzyl chloro-formate, Benzyl chloroform ate, benzoxycarbonyl chloride, PubChem12079, Chloroformic acid benzyl, Benzyl carbonochloridoate, AC1Q3GCJ, phenylmethylchlorocarbonate, Benzyl chloridocarbonate #, benzyloxy carbonyl chloride, DSSTox_CID_7158, SCHEMBL960, WLN: GVO1R, DSSTox_RID_78328, DSSTox_GSID_27158, KSC269G8L, (phenylmethyl)carbonochloridate, (phenylmethyl) carbonochloridate, 119938_ALDRICH, AC1L1V38, ACMC-1B079, Carbonochloride acid benzylester, chloro-formic acid benzyl ester, CHEMBL1581748, DTXSID9027158, CTK1G9385, carbonochloridic acid benzyl ester, 170BP0DD31, BB_SC-7201, ZINC388130, BB_SC-07201, NSC83466, ZX-AT007975, Tox21_201072, AN-361, ANW-30924, BBL011517, Chloroformic acid, phenylmethyl ester, NSC-83466, SBB063193, STL146633, ZINC00388130, AKOS000120065, AM83876, API0001649, Benzyl chloroformate (50% in toluene), carbonochloridic acid phenylmethyl ester, FCH2576662, MCULE-3541425724, RP23304, TRA0076977, UN 1739, NCGC00090933-01, NCGC00090933-02, NCGC00258625-01, AJ-20444, AK106232, BBV-44218600, CAS-501-53-1, CC-24476, CJ-03124, KB-48695, LS-69668, OR011260, OR274321, SC-11289, ZB011306, BB0295041, DB-002647, Formic acid, chloro-, benzyl ester (8CI), ST2406689, TC-066899, TL8003325, A7005, Benzyl chloroformate [UN1739] [Corrosive], FT-0600473, FT-0622817, ST51037905, Benzyl chloroformate [UN1739] [Corrosive], 13785-EP2270005A1, 13785-EP2270006A1, 13785-EP2281563A1, 13785-EP2289510A1, 13785-EP2289892A1, 13785-EP2289897A1, 13785-EP2292589A1, 13785-EP2295437A1, 13785-EP2298735A1, 13785-EP2298766A1, 13785-EP2298775A1, 13785-EP2301939A1, 13785-EP2305651A1, 13785-EP2305659A1, 13785-EP2305663A1, 13785-EP2305672A1, 13785-EP2305687A1, 13785-EP2308812A2, 13785-EP2308833A2, 13785-EP2308854A1, 13785-EP2308858A1, 13785-EP2311816A1, 13785-EP2311817A1, 13785-EP2314578A1, 13785-EP2316836A1, 60461-EP2298734A2, 60461-EP2308873A1, 112947-EP2269977A2, 112947-EP2277878A1, 112947-EP2295401A2, 112947-EP2295437A1, 112947-EP2298775A1, C-05321, I01-0787, F0001-1308, 728010-31-9, 94274-21-2, 960053-05-8, SID17389155 |
170.59 |
1.86 |
0 |
False
|
3 |
|
|
1.86 |
True |
|
|
|
|
|
|
|
|
View |
|
Bepridil |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
BETA-ENDOSULFAN |
CHEMBL2272379 |
|
406.93 |
5.76 |
0 |
False
|
0 |
|
5.54 |
5.75 |
False |
|
|
|
|
|
|
|
|
View |
|
BETAINE |
CHEMBL95889 |
Betaine, BETAINE, Betaine, anhydrous, Cystadane, CYSTADANE, FEMA NO. 4223, NSC-166511 |
118.16 |
|
0 |
True
|
2 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
107-43-7 |
View |
|
BEVACIZUMAB |
CHEMBL1201583 |
12-IGG1, ABP-215, ALYMSYS, AVA-1, AVASTIN, BAT1706, BAT 1706, BAT-1706, BEVACIZUMAB, BEVACIZUMAB AWWB, BEVACIZUMAB-AWWB, BEVACIZUMAB BETA, BEVACIZUMAB BIOSIMILAR (FKB-238), BEVACIZUMAB BVZR, BEVACIZUMAB-BVZR, BEVACIZUMAB MALY, BEVACIZUMAB-MALY, BI695502, BI 695502, BI-695502, BS-503, BS-503A, BYVASDA, CHS-5217, CT-16, CT-P16, CT-P16 (BIOSIMILAR OF BEVACIZUMAB), FKB238, FKB 238, FKB-238, HLX04, HLX 04, HLX-04, IBI305, IBI-305, LY 01008, LY-01008, MVASI, PF-06439535, Q1101, Q-1101, R-435, RG-435, RHUMAB-, RHUMAB-VEGF, USP MAB 002, MONOCLONAL IGG1, ZIRABEV |
|
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
BEXAROTENE |
CHEMBL1023 |
Bexarotene, LGD-1069, LGD1069, Targretine, SID144206219, LG100069, SID50125754, Targretin, LG-100069 |
348.48 |
6.9 |
1 |
True
|
3 |
4.08 |
|
3.97 |
False |
|
|
|
|
|
|
|
|
View |
|
BEZAFIBRATE |
CHEMBL264374 |
BEZAFIBRATE, BEZAGEN XL, BEZALIP, BEZALIP-MONO, BM 15.075, BM-15075, BM-15.075, FIBRAZATE XL, LIPAROL XL, ZIMBACOL XL, Bezafibrate |
361.83 |
|
0 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
41859-67-0 |
View |
|
BIOALLETHRIN |
CHEMBL2107556 |
Bioallethrin |
302.41 |
3.42 |
0 |
True
|
6 |
|
7.13 |
3.24 |
False |
|
|
|
|
|
|
|
|
View |
|
BIOTIN |
CHEMBL857 |
Bioepiderm, Biotin, BIOTIN, Biotin 100, MD-1003, NSC-63865, Vitamin H |
244.32 |
|
0 |
True
|
5 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
58-85-5 |
View |
|
bis(2-chloroethyl) sulfide |
CHEMBL455341 |
S-Lost
Sulfur Mustard |
159.08 |
|
0 |
False
|
4 |
|
|
|
False |
|
|
|
|
|
|
|
505-60-2 |
View |
|
BIS(2-ETHYLHEXYL)PHTHALATE |
CHEMBL402794 |
Di-(2-Ethylhexyl) Phthalate, Diethylhexylphthalate |
390.56 |
|
1 |
False
|
14 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
BIS(2-ETHYLHEXYL) PHTHALATE |
CHEMBL1242017 |
Di(2-Ethylhexyl)Phthalate |
390.56 |
|
1 |
False
|
14 |
|
|
|
False |
|
|
|
|
|
|
|
117-81-7 |
View |
|
BISACODYL |
CHEMBL942 |
BIOLAX, Bisacodyl, BISACODYL, Correctol Tablets, Caplets, DULCODOS, Dulcolax, ENTROLAX, Feen-a-Mint Tablets, SK-Bisacodyl, Theralax |
361.4 |
|
0 |
True
|
5 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
603-50-9 |
View |
|
BISPHENOL A |
CHEMBL418971 |
SID144214049, SID17389142, SID124890224 |
228.29 |
3.64 |
0 |
False
|
2 |
10.29 |
|
3.64 |
False |
|
|
|
|
|
|
|
|
View |
|
Bisphenol AP |
CHEMBL490942 |
4,4′-(1-Phenylethylidene)bisphenol |
290.36 |
|
0 |
False
|
3 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
Bisphenol C |
CHEMBL2392777 |
|
256.35 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
Bisphenol F |
CHEMBL138061 |
4,4'-Dihydroxydiphenylmethane, 4-(4-Hydroxybenzyl)Phenol, 4,4-Methylenediphenol |
200.24 |
|
0 |
False
|
2 |
|
|
|
True |
|
|
|
|
|
|
|
620-92-8 |
View |
|
Bisphenol FL |
CHEMBL434829 |
|
350.42 |
|
1 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
3236-71-3 |
View |
|
Bisphenol PH |
CHEMBL2392653 |
|
380.49 |
|
1 |
False
|
4 |
|
|
|
False |
|
|
|
|
|
|
|
24038-68-4 |
View |
|
Bisphenol S |
CHEMBL384441 |
4-(4-Hydroxyphenylsulfonyl)Phenol |
250.28 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
80-09-1 |
View |
|
Bisphenol TMC |
CHEMBL18187 |
|
311.39 |
|
1 |
False
|
3 |
|
|
|
False |
|
|
|
|
|
|
|
129188-99-4 |
View |
|
Bisphenol Z |
CHEMBL1231453 |
|
268.36 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
843-55-0 |
View |
|
BLEOMYCIN |
CHEMBL403664 |
Blenoxane, Bleomycin sulfate |
1415.55 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
BMAA (b-N-methylamino-L-alanine) |
CHEMBL11488 |
|
118.13 |
-0.1 |
0 |
False
|
3 |
1.88 |
10.51 |
-2.63 |
False |
|
|
|
|
|
|
|
|
View |
|
BMP7 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
BOCEPREVIR |
CHEMBL218394 |
SCH-503034, Victrelis, Boceprevir |
519.68 |
2.84 |
1 |
True
|
10 |
12.82 |
|
2.84 |
False |
|
|
|
|
|
|
|
|
View |
|
BORON TRIFLUORIDE |
CHEMBL2220705 |
BORON TRIFLUORIDE, Trifluoroborane, Boron fluoride, Borane, trifluoro-, Trifluoroboron, 7637-07-2, Anca 1040, Boron fluoride (BF3), Fluorure de bore, Fluorure de bore [French], Borontrifluoride, trifluoro Boron, HSDB 325, CHEBI:33093, WTEOIRVLGSZEPR-UHFFFAOYSA-N, EINECS 231-569-5, UN1008, 109704-87-2, 353-41-3, BF3, trifluoridoboron, boron trifluride, Trifluoro-borane, boron triflouride, (11B)Boron trifluoride, AC1L1MCF, BF3 - Butanol solution, Borane-11B, trifluoro-, UNII-7JGD48PX8P, B1252_ALDRICH, 7JGD48PX8P, Boron trifluoride, compressed, 15712_ALDRICH, B1252_SIGMA, Leecure B series (Salt/Mix), 295027_ALDRICH, 463086_ALDRICH, CHEMBL2220705, DTXSID7041677, 15712_FLUKA, 15715_FLUKA, 15716_FLUKA, 15718_FLUKA, 83253_FLUKA, CTK2H7573, [BF3], InChI=1/BF3/c2-1(3), Boron Trifluoride - Butanol Reagent, EINECS 243-946-1, Boron Trifluoride - Methanol Reagent, Boron Trifluoride - Propanol Reagent, MFCD00011316, Boron trifluoride (14% in methanol), Boron trifluoride 1-propanol solution, AKOS015916106, PC10708, RP17885, TRA0007151, UN 1008, AN-21804, IN000199, IN012506, KB-48440, LS-44986, FT-0623188, FT-0694035, Boron Trifluoride - Isopropyl Alcohol Reagent, Boron trifluoride, compressed [UN1008] [Poison gas], I14-52398, Boron trifluoride, compressed [UN1008] [Poison gas], Boron trifluoride - methanol reagent (10-20%) [for esterification] (1ml*10), 155123-44-7, 15875-25-9, 16045-88-8, 372-85-0 |
67.81 |
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False
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False |
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BORTEZOMIB |
CHEMBL325041 |
SID124950705, Bortezomib, LDP-341, SID144206183, SID518755, Velcade, SID144206225, PS-341 |
384.24 |
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True
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False |
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BOSENTAN |
CHEMBL957 |
Tracleer, Ro-47-0203-029, Bosentan, Ro-470203029 |
551.61 |
0.09 |
1 |
True
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11 |
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0.09 |
False |
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BREQUINAR |
CHEMBL38434 |
BREQUINAR |
375.37 |
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1 |
True
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3 |
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False |
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BROMFENAC |
CHEMBL1077 |
Bromfenac, SID26757971 |
334.16 |
4.87 |
0 |
True
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4 |
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3.74 |
4.87 |
False |
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BROMOBENZENE |
CHEMBL16068 |
Bromobenzene, Bromo-Benzene, SID17389135, SID14719296, SID26753118 |
157.01 |
2.94 |
0 |
False
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0 |
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2.94 |
True |
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O'Brien |
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BROMOXYNIL |
CHEMBL453905 |
SID29216442, Bromoxynil, SID26757253 |
276.91 |
2.85 |
0 |
False
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0 |
4.78 |
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0.34 |
True |
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BUPIVACAINE |
CHEMBL1098 |
Marcaine, SKY-0402, SID160644527, Anekain, Exparel, Bupivacaine, Sensorcaine |
288.43 |
2.28 |
0 |
True
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5 |
1.62 |
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2.88 |
False |
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O'Brien |
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BUPRENORPHINE |
CHEMBL511142 |
ALKS-5461 COMPONENT BUPRENORPHINE, BRIXADI, BUPEAZE, BUPLAST, BUPRENORPHIN, BUPRENORPHINE, BUTEC, BUTRANS, HAPOCTASIN, PANITAZ, PRENOTRIX, RELETRANS, SEVODYNE, SUBLOCADE, SUBOXONE, TEMGESIC, TEPHINE, TRANSTEC |
467.65 |
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0 |
True
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4 |
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False |
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52485-79-7 |
View |
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BUPROPION |
CHEMBL894 |
Bupropion, BUPROPION, Bupropion Hydrochloride |
239.75 |
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0 |
True
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3 |
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False |
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O'Brien, ScreenWell |
34911-55-2 |
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BUSPIRONE |
CHEMBL49 |
Buspar, SID11110857, SID11112732, SID26751994, SID11113821, Buspirone, SID90340780, SID104171117, BuspironeHCl |
385.5 |
1.59 |
0 |
True
|
6 |
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7.72 |
1.24 |
False |
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O'Brien, ScreenWell |
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BUSULFAN |
CHEMBL820 |
Myelosan, Myleran, Busulfex, Sulphabutin, SID49648470, SID67633, Busulfan |
246.3 |
-0.56 |
0 |
True
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7 |
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-0.56 |
False |
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BUTHIONINE SULFOXIMINE |
CHEMBL1609891 |
BUTHIONINE SULFOXIMINE, L-Buthionine(S,R)-Sulfoximine, L-Buthionine-Sulfoximine, NSC-381100, Buthionine Sulfoximine |
222.31 |
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0 |
False
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7 |
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False |
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O'Brien |
5072-26-4 |
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BUTYLATED HYDROXYTOLUENE |
CHEMBL146 |
BHT, BUTYLATED HYDROXYTOLUENE, Butylhydroxytoluene, E321, E-321, FEMA NO. 2184, INS-321, INS NO.321, NSC-6347 |
220.36 |
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0 |
True
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0 |
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False |
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O'Brien |
128-37-0 |
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BUTYRIC ANHYDRIDE |
CHEMBL1566369 |
BUTYRIC ANHYDRIDE, Butanoic anhydride, n-Butyric anhydride, 106-31-0, Butanoic acid, anhydride, Butyryl oxide, butanoyl butanoate, Butyric acid anhydride, Butanoic acid anhydride, Butyranhydrid, n-Butyric acid anhydride, Anhydrid kyseliny maselne, Butyric anhydride N, n-Butanoic anhydride, Butanoic acid, 1,1'-anhydride, Butyranhydrid [Czech], Caswell No. 132A, UNII-A88LE742VX, HSDB 5369, Anhydrid kyseliny maselne [Czech], YHASWHZGWUONAO-UHFFFAOYSA-N, EINECS 203-383-4, MFCD00009389, SBB040852, UN2739, EPA Pesticide Chemical Code 077705, BRN 1099474, butanoicacidanhydride, butanoicacid,anhydride, Ethyl butyryl acetate, anhydridkyselinymaselne, AC1L1PKO, AC1Q5XEE, DSSTox_CID_6729, SCHEMBL8158, akos bbs-00004317, DSSTox_RID_78204, DSSTox_GSID_26729, ETHYL BUTYROYL ACETATE, KSC490Q0D, B103551_ALDRICH, W527211_ALDRICH, ACMC-2098j8, butanoic acid 1-oxobutyl ester, A88LE742VX, CHEMBL1566369, DTXSID8026729, 19270_FLUKA, CTK3J0801, ZINC8585875, Tox21_201086, ANW-15330, AR-1I1099, AKOS000269029, MCULE-7605031104, RP22182, TRA0054361, UN 2739, NCGC00091001-01, NCGC00091001-02, NCGC00091001-03, NCGC00258638-01, AN-22424, Butyric anhydride [UN2739] [Corrosive], CAS-106-31-0, LS-48209, OR034317, OR198536, SC-79453, Butyric anhydride [UN2739] [Corrosive], TR-001245, B0766, FT-0623348, 71078-EP2277880A1, 71078-EP2292610A1, 71078-EP2305666A1, 71078-EP2308833A2, 4-02-00-00802 (Beilstein Handbook Reference), A801416, I14-7681, I14-7688, F0001-0116, InChI=1/C8H14O3/c1-3-5-7(9)11-8(10)6-4-2/h3-6H2,1-2H, SID17389129, SID26752868 |
158.19 |
1.88 |
0 |
False
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6 |
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1.88 |
False |
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CABOZANTINIB |
CHEMBL2105717 |
BMS-907351, BMS-907351 FREE BASE, CABOMETYX, CABOZANTINIB, COMETRIQ, XL184, XL-184, XL-184 FREE BASE |
501.51 |
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2 |
True
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8 |
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False |
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849217-68-1 |
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CADMIUM |
CHEMBL2074977 |
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112.41 |
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False
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False |
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CADMIUM DICHLORIDE |
CHEMBL1458880 |
Cadmium Chloride, SID17389998, SID102651 |
183.32 |
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False
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False |
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CAFFEINE |
CHEMBL113 |
Coffeine, SID26732615, SID104171124, SID50105397, SID26752751, SID11110908, SID49718178, SID90341215, Methyltheobromine, SID50105398, Caffeine, Cafcit, SID17389997, Theine, SID124879556, NoDoz Caplets and Chewable Tablets |
194.19 |
1.01 |
0 |
True
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0 |
9.97 |
10.63 |
-1.82 |
True |
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T1/2: 4.2 hr
Exc: 95% Urinary
Met: demethylation, hydroxylation
Cmax = 1.3 ug/ml |
O'Brien |
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Calcein AM |
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False
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False |
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CALCIFEDIOL |
CHEMBL3544909 |
CALCIDIOL, CALCIFEDIOL, CALDEROL, Calderol, U-32,070E |
418.65 |
3.21 |
1 |
False
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6 |
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3.21 |
False |
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Calcitonin |
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False
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False |
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CALCITRIOL |
CHEMBL846 |
1ALPHA,25-DIHYDROXYCHOLECALCIFEROL, 1ALPHA,25-DIHYDROXYVITAMIN D3, CALCIJEX, CALCITRIOL, Calcijex, Calcitriol, Dihydroxycholecalciferol, Dihydroxyvitamin D 3, RO 21-5535, ROCALTROL, Ro-21-5535, Rocaltrol, Topitriol, Vectical |
416.64 |
5.63 |
1 |
False
|
6 |
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5.63 |
False |
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CALCIUM CARBONATE |
CHEMBL1200539 |
Albacar, CAL-SUP, CALCIUM CARBONATE, CHALK, PRECIPITATED, CHILDREN'S MYLANTA UPSET STOMACH RELIEF, CHOOZ, Cal-Sup, E170, MYLANTA SOOTHING LOZENGES, PRECIPITATED CALCIUM CARBONATE, Precipitated Calcium Carbonate, Purecal |
100.09 |
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False
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False |
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CAPREOMYCIN |
CHEMBL2221250 |
CAPASTAT, CAPREOMYCIN, Capreomycin |
1321.44 |
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True
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False |
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O'Brien |
11003-38-6 |
View |
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CAPSAICIN |
CHEMBL294199 |
SID50105473, Capsaicin, Qutenza, SID26752820, SID56463572 |
305.41 |
3.22 |
0 |
True
|
9 |
9.76 |
|
3.22 |
False |
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CAPTOPRIL |
CHEMBL1560 |
CAPOTEN, CAPTOPRIL, Capoten, Captopril, Lopril, SQ 14,225, SQ-14225, Tensobon |
217.29 |
1.99 |
0 |
False
|
3 |
3.59 |
|
-1.46 |
False |
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O'Brien, ScreenWell |
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CARBAMAZEPINE |
CHEMBL108 |
Carbatrol, Equetro, Tegretol Xr, Tegretol-Xr, Tegretol, G-32883, Epitol, Carbamazepine, SID11110939, SID11110940, SID124879629, Teril |
236.27 |
1.9 |
0 |
True
|
0 |
13.94 |
|
1.9 |
True |
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ScreenWell |
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CARBARIL |
CHEMBL46917 |
Carbaryl, SID144204545, Carbaril, ENT-23969, SID17389992 |
201.22 |
2.34 |
0 |
True
|
2 |
12.02 |
|
2.34 |
True |
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CARBAZERAN |
CHEMBL77131 |
Carbazeran, CARBAZERAN, UK-31557, UK-31,557 |
360.41 |
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0 |
True
|
5 |
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False |
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70724-25-3 |
View |
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CARBAZOLE |
CHEMBL243580 |
9H-Carbazole, SID17389991, SID47193682, Carbazole, SID26752943 |
167.21 |
3.76 |
0 |
False
|
0 |
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3.76 |
False |
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CARBIDOPA |
CHEMBL1201236 |
CARBIDOPA, Lodosyn, Carbidopa |
226.23 |
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0 |
True
|
4 |
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False |
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O'Brien |
28860-95-9 |
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CARBON TETRACHLORIDE |
CHEMBL44814 |
CARBON TETRACHLORIDE, Carbon tetrachloride |
153.82 |
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0 |
False
|
0 |
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True |
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O'Brien |
56-23-5 |
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CARBONYL CYANIDE M-CHLOROPHENYLHYDRAZONE |
CHEMBL224214 |
SID26753158, Carbonyl Cyanide M-Chlorophenylhydrazone, CCCP |
204.62 |
3.11 |
0 |
False
|
2 |
6.0 |
|
1.79 |
False |
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CC Protein |
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False
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False |
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View |
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CEFTAZIDIME |
CHEMBL44354 |
CEFTAZIDIME, Ceftazidime (arginine formulation), CEFTAZIDIME HYDRATE, CEFTAZIDIME PENTAHYDRATE, Ceptaz, CEPTAZ, Fortam, Fortaz, Fortum, GR 20263, GR-20263, J01DD07, Kefazim, LY 139381, LY-139381, Pentacef, PENTACEF, Tazicef, Tazidime |
546.59 |
|
2 |
True
|
9 |
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False |
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O'Brien |
72558-82-8 |
View |
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CELECOXIB |
CHEMBL118 |
CELEBREX, CELECOXIB, Celebra, Celebrex, Onsenal, SC-58635 |
381.37 |
2.59 |
0 |
False
|
4 |
9.68 |
|
2.59 |
False |
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CENICRIVIROC |
CHEMBL2110727 |
CENICRIVIROC |
696.94 |
7.25 |
2 |
False
|
17 |
|
7.89 |
6.74 |
False |
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CERIVASTATIN |
CHEMBL1477 |
SID50111694, Cerivastatin, Lipobay, Baycol |
459.55 |
1.72 |
0 |
True
|
11 |
|
9.34 |
-0.34 |
False |
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O'Brien |
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CHLORAMPHENICOL |
CHEMBL130 |
AMPHICOL, BROCHLOR, BROLENE ANTIBIOTIC, Chloramex, Chloramphenicol, CHLORAMPHENICOL, Chlorbiotic, CHLOROFAIR, Chloromycetin, CHLOROPTIC, CHLOROPTIC S.O.P., ECONOCHLOR, GOLDEN EYE ANTIBIOTIC, KEMICETINE, Kernispray, KLORAFECT, MYCHEL, Mychel-S, NSC-16331, NSC-3069, OPHTHOCHLOR, OPTOMYCIN, SNO PHENICOL, Tevcocin, TUBILUX INFECTED EYES |
323.13 |
|
0 |
True
|
6 |
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False |
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O'Brien, ScreenWell |
56-75-7 |
View |
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CHLORCYCLIZINE |
CHEMBL22150 |
CHLORCYCLIZINE, Chlorcyclizine |
300.83 |
|
0 |
True
|
3 |
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False |
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82-93-9 |
View |
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CHLORCYCLIZINE HYDROCHLORIDE |
CHEMBL1889091 |
AH-289, CHLORCYCLIZINE HYDROCHLORIDE, Di-Paralene, NSC-169496, Chlorcyclizine hydrochloride |
337.29 |
|
0 |
False
|
3 |
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False |
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ScreenWell |
14362-31-3 |
View |
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CHLORDANE |
CHEMBL196537 |
SID17389114 |
409.78 |
5.89 |
0 |
False
|
0 |
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5.89 |
False |
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CHLORDECONE (KEPONE) |
CHEMBL462576 |
Kepone, SID56462801, SID26752871, SID85148750 |
490.64 |
5.41 |
0 |
False
|
0 |
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5.41 |
False |
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CHLORMEZANONE |
CHEMBL1200714 |
SID50104419, SID26751725, SID85230949, Trancopal, Chlormezanone, SID90340648, SID26747112, Chlormethazanone |
273.74 |
0.48 |
0 |
True
|
1 |
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0.48 |
False |
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CHLOROFORM |
CHEMBL44618 |
Chloroform, CHLOROFORM |
119.38 |
|
0 |
True
|
0 |
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True |
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O'Brien |
67-66-3 |
View |
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CHLOROQUINE |
CHEMBL76 |
Aralen, CHLOROCHINE, CHLOROQUINE, Chloroquine, NSC-187208, Chloroquine Diphosphate |
319.87 |
4.41 |
0 |
True
|
8 |
|
10.47 |
1.59 |
False |
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O'Brien, ScreenWell |
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CHLORPHENIRAMINE |
CHEMBL505 |
Antagonate, CHLORPHENAMINE, Chlorpheniramine, CHLORPHENIRAMINE, CHLOR-TRIMETON, Isoclor, Kloromin, Phenetron, Teldrin, Chlorpheniramine Maleate |
274.8 |
|
0 |
True
|
5 |
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False |
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O'Brien, ScreenWell |
132-22-9 |
View |
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CHLORPROMAZINE |
CHEMBL71 |
Largactil, SID57287810, Chlorpromazine Phenolphthalinate, SID90340916, Chlorpromazine, SID50104291, Chlorpromazine Hibenzate, Elmarin, Thorazine, Chlorpromazine Tannate, Megaphen, Sonazine, ChlorpromazineHCl |
318.86 |
5.18 |
0 |
True
|
4 |
|
9.41 |
3.24 |
False |
|
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O'Brien, ScreenWell |
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CHLORPYRIFOS |
CHEMBL463210 |
SID49731957, SID26753021, SID26753020, Chlorpyrifos |
350.59 |
5.0 |
0 |
True
|
6 |
|
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5.0 |
False |
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CHLORZOXAZONE |
CHEMBL1371 |
Strifon Forte Dsc, Parafon Forte, Chlorzoxazone, Parafon Forte Dsc, Paraflex, SID11110946, Parafon, Strifon, Parafon-Forte, SID11110945 |
169.57 |
1.82 |
0 |
True
|
0 |
8.46 |
|
1.78 |
True |
|
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ScreenWell |
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CHOLECALCIFEROL |
CHEMBL1042 |
Colecalciferol, Dihydrocholesterol, Vitamin D 3, Vitamin D, 7-Dehydrocholesterol, Cholecalciferol |
384.64 |
9.09 |
1 |
True
|
6 |
|
|
9.09 |
False |
|
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View |
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CHOLIC ACID |
CHEMBL205596 |
Cholbam, Cholic Acid, CHOLIC ACID, E1000, Kolbam, NSC-6135, Orphacol, Cholic acid |
408.58 |
|
0 |
True
|
4 |
|
|
|
False |
|
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|
|
ScreenWell |
81-25-4 |
View |
|
CIDOFOVIR |
CHEMBL152 |
CIDOFOVIR, GS-0504, VISTIDE, Vistide |
279.19 |
-1.47 |
0 |
False
|
6 |
1.56 |
4.42 |
-5.41 |
False |
|
|
|
|
|
|
|
|
View |
|
cigarette smoke extract |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
CIGLITAZONE |
CHEMBL7002 |
ADD-3878, CIGLITAZONE, U-63287, Ciglitizone |
333.45 |
|
0 |
True
|
5 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
74772-77-3 |
View |
|
CIMETIDINE |
CHEMBL30 |
SID17389962, Cimetidine, Valmagen, SID104171130, SID11113773, SID90341189, SID26751957, SID50104629, SID460110, SID11533056, SID56462993, Brumetadina, Tagamet HB, SID26747359, Tagamet, Tagamet HB 200 |
252.34 |
-0.07 |
0 |
True
|
7 |
|
7.07 |
-0.36 |
False |
|
|
|
|
|
|
|
|
View |
|
CINCHOPHEN |
CHEMBL348000 |
SID50085459, Cinchophen, SID4262559, SID26751442, SID855522, SID124883501, SID124883499, Phenylcinchoninic Acid, SID104171373, Cincophen |
249.26 |
4.18 |
0 |
True
|
2 |
0.96 |
5.01 |
1.04 |
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
CINNAMALDEHYDE |
CHEMBL293492 |
CINNAMALDEHYDE, CINNAMIC ALDEHYDE |
132.16 |
1.9 |
0 |
False
|
2 |
|
|
1.9 |
True |
|
|
|
|
|
|
|
|
View |
|
CIPROFIBRATE |
CHEMBL557555 |
CIPROFIBRATE, MODALIM, WIN 35833, WIN-35833, Ciprofibrate |
289.16 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
52214-84-3 |
View |
|
CIPROFLOXACIN |
CHEMBL8 |
BAY-Q-3939, Ciloxan, Ciprobay, Velmonit, SID11112875, SID26748814, Cipro, Ciprofloxacin, SID124882697 |
331.34 |
1.63 |
0 |
True
|
3 |
6.43 |
8.68 |
-0.29 |
False |
|
|
|
|
|
|
|
|
View |
|
CISAPRIDE |
CHEMBL1729 |
Propulsid, Cisapride, Risamal, R-51619, SID144204250, Acenalin |
465.95 |
3.32 |
0 |
True
|
9 |
4.5 |
|
0.47 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
cis-Diaminedichloroplatinum |
CHEMBL2068237 |
Cisplatin, Cisplatinum, cis-diamminedichloroplatinum(II) |
298.03 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
CISPLATIN |
CHEMBL11359 |
SID557830, SID50105439, CIS-DDP, SID301178, Cis-Platinum II, SID90340859, SID17389100, Platinol, Cisplatin |
300.05 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
CITICOLINE |
CHEMBL1618340 |
CITICOLINE, IP 302, IP-302, NSC-122002, Citicoline |
489.34 |
|
1 |
True
|
10 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
987-78-0 |
View |
|
CLARITHROMYCIN |
CHEMBL1741 |
A-56268, ABBOTT-56268, BIAXIN, BIAXIN XL, Biaxin, Biaxin XL Pac, CLARIE XL, CLARITHROMYCIN, CLAROSIP, Clarithromycin extended release, FEBZIN XL, KLARICID, KLARICID 500, KLARICID ADULT, KLARICID I.V., KLARICID PAED, KLARICID XL, MYCIFOR XL, Prevpac, TE-031, XETININ XL, ZECLAR |
747.96 |
2.81 |
2 |
True
|
8 |
13.08 |
8.16 |
2.06 |
False |
|
|
|
|
|
|
|
|
View |
|
CLENBUTEROL |
CHEMBL49080 |
CLENBUTEROL, CLENBUTEROL HYDROCHLORIDE, NAB 365, Planipart, Spiropent, Ventipulmin |
277.19 |
2.63 |
0 |
False
|
4 |
13.29 |
9.52 |
0.58 |
False |
|
|
|
|
|
|
|
|
View |
|
CLINDAMYCIN |
CHEMBL1753 |
Antirobe, CHLORODEOXYLINCOMYCIN, CHLOROLINCOMYCIN, Cleocin, Cleocin T, Clindamycin, CLINDAMYCIN, Sobelin, U-21251, U-21,251 |
424.99 |
|
0 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
|
18323-44-9 |
View |
|
CLINDAMYCIN HYDROCHLORIDE |
CHEMBL1200588 |
Cleocin, CLEOCIN HYDROCHLORIDE, Clindamycin Hydrochloride, CLINDAMYCIN HYDROCHLORIDE, DALACIN C, U-25179E, Clindamycin hydrochloride |
461.45 |
|
0 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
21462-39-5 |
View |
|
CLIOQUINOL |
CHEMBL497 |
4-STEARYLAMINO-PHENYL-TRIMETHYLAM. METILSULF., Clioquinol, CLIOQUINOL, Domeform-HC, IODOCHLORHYDROXYQUIN, NSC-3531, NSC-74938, ORALCER, Quin-O-Creme, Vioform |
305.5 |
|
0 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
130-26-7 |
View |
|
CLOFARABINE |
CHEMBL1750 |
Clofarabine, Clolar, SID144205735 |
303.68 |
0.45 |
0 |
True
|
2 |
12.56 |
1.25 |
0.45 |
False |
|
|
|
|
|
|
|
|
View |
|
CLOFIBRATE |
CHEMBL565 |
Atromid-S, AY-61123, Clofibrate, Chlorfenisate, SID85230976, SID90341380, Atromid, ICI-28257 |
242.7 |
3.88 |
0 |
True
|
5 |
|
|
3.88 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
CLOFOREX |
CHEMBL1697686 |
SID144206822, D-237, Cloforex |
255.74 |
3.45 |
0 |
True
|
5 |
12.66 |
|
3.45 |
False |
|
|
|
|
|
|
|
|
View |
|
CLOMETACIN |
CHEMBL13376 |
C-1656, R-3959, Mindolic Acid, Clometacin |
357.79 |
4.43 |
0 |
True
|
5 |
4.04 |
|
1.22 |
False |
|
|
|
|
|
|
|
|
View |
|
CLOPIDOGREL |
CHEMBL1771 |
Clopidogrel, CLOPIDOGREL, GREPID, ISCOVER, PLAVIX, R 130964, R-130964, SR 25990, SR-25990, () Clopidogrel hydrogensulfate |
321.83 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
113665-84-2 |
View |
|
CLOTRIMAZOLE |
CHEMBL104 |
Mycelex-7, Clotrimazole, Gyne-Lotrimin 3, GNF-Pf-3499, Gyne-Lotrimin Combination Pack, Mycelex, Mycelex-7 Combination Pack, SID90340692, Gynix, Trivagizole 3, Gyne-Lotrimin, BAY-5097, Canesten, Gyne-Lotrimin 3 Combination Pack, SID85230973, Mycelex-G |
344.84 |
4.92 |
1 |
True
|
4 |
|
6.12 |
4.9 |
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
CLOZAPINE |
CHEMBL42 |
CLOZAPINE, CLOZAPINE (CARACO), CLOZAPINE (CLOZARIL), CLOZAPINE (FAZACLO), CLOZAPINE (IVAX), CLOZAPINE (MYLAN), CLOZAPINE RESOLUTION MIXTURE, CLOZAPINE (TEVA), CLOZAPINE (UDL), CLOZAPINE (VERSACLOZ), Clozaril, Fazaclo, FAZACLO ODT, HF 1854, HF-1854, LEPONEX, NSC-757429, VERSACLOZ, ZAPONEX |
326.83 |
|
0 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
|
5786-21-0 |
View |
|
CMFDA |
|
5-chloromethylfluorescein diacetate |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
COBIMETINIB |
CHEMBL2146883 |
COBIMETINIB, Cotellic, GDC-0973, RG 7420, RG-7421, XL-518 |
531.32 |
6.15 |
1 |
True
|
4 |
13.13 |
10.2 |
3.75 |
False |
|
|
|
|
|
|
|
|
View |
|
COLCHICINE |
CHEMBL107 |
SID67636, SID50113686, Colchicine, SID50113685, Colcrys, SID90340644 |
399.44 |
1.07 |
0 |
True
|
5 |
|
|
1.07 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
COLFORSIN |
CHEMBL52606 |
BOFORSIN, Colforsin, COLFORSIN, FORSKOLIN, HL 362, L 75 1362B, Forskolin |
410.51 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
66575-29-9 |
View |
|
Colistin |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
CORALGIL |
CHEMBL1615358 |
Coralgil |
468.73 |
|
1 |
False
|
17 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
69-14-7 |
View |
|
CORN OIL |
CHEMBL2108243 |
CORN OIL, CORN OIL, UNHYDROGENATED, MAYDOL, OLEUM MAYDIS, VEGETABLE OIL, CORN, ZEA MAYS OIL |
|
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
8001-30-7 |
View |
|
CORTISONE |
CHEMBL111861 |
CORTISONE, NSC-9703, Cortisone |
362.47 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
53-06-5 |
View |
|
COUMARIN |
CHEMBL6466 |
COUMARIN, LODEMA, Coumarin |
146.14 |
1.39 |
0 |
False
|
0 |
|
|
1.39 |
True |
|
|
|
|
|
|
ScreenWell |
|
View |
|
CRIZOTINIB |
CHEMBL601719 |
CRIZOTINIB, PF-2341066, XALKORI |
450.35 |
3.54 |
1 |
True
|
5 |
|
9.81 |
1.06 |
False |
|
|
|
|
|
|
|
|
View |
|
CROMOLYN |
CHEMBL428880 |
CROMOGLICIC ACID, CROMOLYN, R03BC01, Cromolyn |
468.37 |
|
0 |
True
|
8 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
16110-51-3 |
View |
|
CROTONIC ACID |
CHEMBL1213528 |
CROTONIC ACID, but-2-enoic acid, (E)-but-2-enoic acid, 107-93-7, trans-2-Butenoic acid, 3724-65-0, 3-Methylacrylic acid, trans-Crotonic acid, 2-Butenoic acid, (E)-2-Butenoic acid, (2E)-but-2-enoic acid, BUTENOIC ACID, beta-Methylacrylic acid, alpha-Butenoic acid, alpha-Crotonic acid, Solid crotonic acid, (E)-Crotonic acid, beta-Methacrylic acid, Crotonic acid, (E)-, Kyselina krotonova, Crotonicacid, Acrylic acid, 3-methyl-, 2-Butenoic acid, (E)-, 2E-butenoic acid, 2-Butenoate, (2E)-2-Butenoic acid, UNII-YW5WZZ4O5Q, Kyselina krotonova [Czech], NSC 206946, 2-butenoic acid, (2E)-, CHEBI:41131, HSDB 2814, NSC8751, LDHQCZJRKDOVOX-NSCUHMNNSA-N, NSC 8751, EINECS 203-533-9, EINECS 223-077-4, alpha-butenoate, MFCD00002701, UN2823, BRN 1098434, BRN 1719943, AK109438, trans-2-butenoate, AI3-06287, b-methylacrylic acid, Crotonic acid, solid [UN2823] [Corrosive], (2E)-2-butenoate, Q-101243, C4:1n-2, CH3CH=CHCOOH, CHEBI:17217, Crotonsaeure, Butenoate, a-butenoate, a-butenoic acid, a-crotonic acid, acide crotonique, 2-butenic acid, transcrotonic acid, Trans-crotonicacid, UN 2823, Crotonic acid, solid, Crotonic acid, liquid, E-but-2-enoic acid, 3-methyl-Acrylic acid, AC1LCTHA, YW5WZZ4O5Q, 113018_ALDRICH, CHEMBL1213528, InChI=1/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/b3-2, 28010_FLUKA, HMDB10720, BB_NC-2305, ZINC901132, 2-Butenoic acid, (E)- (9CI), BB_NC-02305, NSC-8751, BBL027395, BDBM50427207, LMFA01030195, RB8002, STL146356, AKOS000119656, ACM3724650, ACM3824650, DB02074, FCH2251301, FCH4510495, RL00335, RL03422, NCGC00249105-01, AJ-24338, AK-41668, AN-20947, AN-42841, BBV-60752034, BC206359, BR-41668, KB-49131, LS-55550, LS-55551, OR034290, OR224080, OR264009, AB1002980, DB-029600, DB-029602, KB-209269, TR-001884, FT-0624102, FT-0654375, ST24024688, ST24026349, Crotonic acid, liquid [UN2823] [Corrosive], C01771, Crotonic acid, liquid [UN2823] [Corrosive], S-5685, 31578-EP2308858A1, 31578-EP2311816A1, 31578-EP2311817A1, 4-02-00-01498 (Beilstein Handbook Reference), I04-0308, S04-0170, F2191-0211, 15105-17-6, Crotonate, Crotonic Acid |
86.09 |
0.66 |
0 |
False
|
1 |
4.8 |
|
-1.91 |
True |
|
|
|
|
|
|
|
|
View |
|
CURCUMIN |
CHEMBL116438 |
E100, CI-75300, Natural Yellow 3, SID85148703, Curcumin, SID50107568, Diferuloylmethane, SID26749327, SID50107570 |
368.38 |
2.64 |
0 |
False
|
7 |
8.35 |
|
2.59 |
False |
|
|
|
|
|
|
|
|
View |
|
CYANOCOBALAMIN |
CHEMBL2110563 |
BEHEPAN, Berubigen, Betalin 12, CALOMIST, Cobavite, CYANOCOBALAMIN, CYANOVIT-B12, CYCOBEMIN, CYTACON, CYTAMEN, DODEX, Nascobal, NSC-80365, Redisol, RUBIVITE, Rubramin, RUBRAMIN PC, RUVITE, Vibalt, VIBISONE, Vitamin B 12, VITAMIN B12, VITAMIN B12 NOS, VI-TWEL, Cyanocobalamin |
1356.4 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
O'Brien |
68-19-9 |
View |
|
CYANURIC CHLORIDE |
CHEMBL1530777 |
Cyanuric chloride, 2,4,6-Trichloro-1,3,5-triazine, 108-77-0, Cyanuryl chloride, s-Triazine trichloride, Trichlorocyanidine, Cyanuric trichloride, Tricyanogen chloride, Cyanuric acid chloride, sym-Trichlorotriazine, 2,4,6-TRICHLORO-S-TRIAZINE, Chlorotriazine, Trichloro-s-triazine, Cyanur chloride, Cyanuric acid trichloride, 2,4,6-Trichlorotriazine, Kyanurchlorid, 1,3,5-Triazine, 2,4,6-trichloro-, syn-Trichlotriazin, 1,3,5-Trichlorotriazine, Cyanurchloride, 2,4,6-Trichloro-sym-triazine, s-Triazine, 2,4,6-trichloro-, Tricholorotriazine, trichloro-1,3,5-triazine, s-Trichlorotriazine, Tricyanogen chloridec, CHEBI:58964, Kyanurchlorid [Czech], NSC 3512, syn-Trichlotriazin [Czech], HSDB 2905, MGNCLNQXLYJVJD-UHFFFAOYSA-N, EINECS 203-614-9, UN2670, BRN 0124246, AI3-17788, DSSTox_CID_6799, DSSTox_RID_78218, DSSTox_GSID_26799, W-108714, 2,4,6-Trichloro-(1,3,5)-triazine, 2,4,6-trichloro-[1,3,5]-triazine, CAS-108-77-0, 1,5-Trichlorotriazine, 2,6-Trichlorotriazine, PubChem21795, AC1L1PXO, 2,6-Trichloro-s-triazine, Epitope ID:119708, UNII-5U4L4QHD6I, 5U4L4QHD6I, s-Triazine,4,6-trichloro-, SCHEMBL20781, C95501_ALDRICH, KSC498C3P, CHEMBL1530777, DTXSID6026799, CTK3J8137, NSC3512, 2,6-Trichloro-1,3,5-triazine, BB_SC-7188, BB_SC-07188, NSC-3512, WLN: T6N CN ENJ BG DG FG, ZINC1666824, 1,3,5-trichloro-2,4,6-triazine, Tox21_202449, Tox21_303286, 1,5-Triazine, 2,4,6-trichloro-, 2,4,6-Trichloro[1,3,5]triazine, ANW-42379, BBL013185, MFCD00006046, SBB008925, STL163964, ZINC01666824, 2,4,6-Trichlor-(1,3,5)triazine, 2,4,6-trichloro-[1,3,5]triazine, AKOS000120158, FCH2252013, MCULE-3861428161, NE10424, RP24486, UN 2670, NCGC00090920-01, NCGC00090920-02, NCGC00090920-03, NCGC00257057-01, NCGC00259998-01, 2,4,6-tris(chloranyl)-1,3,5-triazine, AK122515, AN-22525, BBV-75779232, BC676642, CC-26020, CJ-26993, Cyanuric chloride [UN2670] [Corrosive], HE020713, HE294398, KB-49153, AB1001267, BB0295069, Cyanuric chloride [UN2670] [Corrosive], LS-155568, ST2409061, TR-001993, FT-0624144, ST50827261, X4436, EN300-19116, CYANURIC-13C3 CHLORIDE 99 ATOM % 13C, 102952-EP2298761A1, 102952-EP2301918A1, 5-26-01-00311 (Beilstein Handbook Reference), A801923, C-30506, I14-6999, F0001-0179, 190086-22-7, SID17389086, SID26752846 |
184.41 |
2.14 |
0 |
False
|
0 |
|
|
2.14 |
True |
|
|
|
|
|
|
|
|
View |
|
CYCLOFENIL |
CHEMBL141305 |
SID29217524, ICI-48213, F-6066, Cyclofenil |
364.43 |
4.66 |
1 |
True
|
6 |
|
|
4.66 |
False |
|
|
|
|
|
|
|
|
View |
|
Cyclopamine |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
CYCLOPHOSPHAMIDE |
CHEMBL88 |
SID90341534, SID87150, Cyclophosphamide, Neosar, SID85230959, SID50105634, Sendoxan, Cytoxan |
261.09 |
0.73 |
0 |
True
|
5 |
|
2.84 |
0.73 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
CYCLOSPORINE |
CHEMBL160 |
Sandimmune, Cyclosporin A, SID11532934, 27-400, Gengraf, SID56422786, Ciclosporin, Cyclosporine, Restasis, SID26757675, Neoral |
1202.61 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
CYTOCHALASIN B |
CHEMBL411729 |
Cytochalasin B |
479.62 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
14930-96-2 |
View |
|
CYTOCHALASIN D |
CHEMBL260287 |
Cytochalasin D |
507.63 |
|
1 |
False
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
22144-77-0 |
View |
|
DABIGATRAN |
CHEMBL48361 |
BIBR 953 ZW, BIBR-953, DABIGATRAN, Dabigatran, PRADAXA |
471.51 |
1.02 |
0 |
False
|
9 |
4.17 |
12.62 |
-1.48 |
False |
|
|
|
|
|
|
|
|
View |
|
DABRAFENIB |
CHEMBL2028663 |
GSK2118436A, Dabrafenib |
519.56 |
5.69 |
2 |
True
|
6 |
|
|
5.69 |
False |
|
|
|
|
|
|
|
|
View |
|
DACARBAZINE |
CHEMBL476 |
DIC, Dacarbazine, SID17389952, DTIC, SID26747399, SID99125, Dtic-Dome |
182.18 |
0.03 |
0 |
True
|
3 |
11.45 |
3.93 |
0.03 |
False |
|
|
|
|
|
|
|
|
View |
|
DAIDZEIN |
CHEMBL8145 |
DAIDZEIN |
254.24 |
|
0 |
False
|
1 |
|
|
|
False |
|
|
|
|
|
|
|
486-66-8 |
View |
|
DANAZOL |
CHEMBL1479 |
DANAZOL, Danocrine, NSC-270916, WIN 17,757, WIN-17757, Danazol |
337.46 |
|
0 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
17230-88-5 |
View |
|
DANTROLENE |
CHEMBL1201288 |
F-368, SID26756482, Dantrolene, Dantamacrin, SID26756773, Dantrium, DantroleneNa |
314.25 |
0.71 |
0 |
True
|
4 |
4.24 |
9.91 |
-1.79 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
DAPAGLIFLOZIN |
CHEMBL429910 |
BMS-512148, BMS-512148-05, DAPAGLIFLOZIN |
408.87 |
2.09 |
0 |
True
|
6 |
13.23 |
|
2.09 |
False |
|
|
|
|
|
|
|
|
View |
|
DASATINIB |
CHEMBL1421 |
BMS-354825-03, SID144206289, SID50125840, SID50100097, Sprycel, Dasatinib, SID124893651, SID124893650, SID103905543 |
488.01 |
0.14 |
0 |
True
|
7 |
10.94 |
7.29 |
-0.27 |
False |
|
|
|
|
|
|
|
|
View |
|
Decamethylcyclopentasiloxane |
CHEMBL1885178 |
|
370.78 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
DECANOIC ACID |
CHEMBL107498 |
Decanoic acid, CAPRIC ACID, n-Decanoic acid, 334-48-5, n-Capric acid, Decylic acid, Caprinic acid, Caprynic acid, Decoic acid, n-Decylic acid, n-Decoic acid, 1-Nonanecarboxylic acid, Neo-fat 10, Hexacid 1095, decanoate, Versatic 10, Versatic 10 acid, caprynate, decoate, decylate, Emery 659, n-decoate, n-decylate, NSC 5025, 1-nonanecarboxylate, C10 fatty acid, caprinate, n-decanoate, Fatty acid(C10), Prifac 296, Acid C10, Econosan Acid Sanitizer, Prifac 2906, C10:0, Decanoic acid (natural), Lunac 10-95, Lunac 10-98, UNII-4G9EDB6V73, FEMA No. 2364, CCRIS 4610, CHEBI:30813, HSDB 2751, GHVNFZFCNZKVNT-UHFFFAOYSA-N, C10H20O2, EINECS 206-376-4, MFCD00004441, SBB060022, EPA Pesticide Chemical Code 128955, BRN 1754556, NCGC00091320-02, AI3-04453, Decanoic acid anion, DSSTox_CID_1554, DSSTox_RID_76208, DSSTox_GSID_21554, DKA, W-202368, CAS-334-48-5, NON, Capricacid, Dekansaeure, Kaprinsaeure, 1-decanoic acid, nonanecarboxylic acid, Nat. Decanoic Acid, Prifrac 296, AC1L1EVN, Nonane-1-carboxylic acid, ACMC-1CKM4, bmse000370, C10:0 (Lipid numbers), SCHEMBL2682, WLN: QV9, Decanoic acid (Capric acid), KSC222I3L, MLS002415724, C1875_SIGMA, CH3-[CH2]8-COOH, W236403_ALDRICH, W236411_ALDRICH, 4G9EDB6V73, CHEMBL107498, GTPL5532, Jsp006130, DTXSID9021554, 21409_FLUKA, CTK1C2435, Decanoic acid, lead (2+) salt, HMDB00511, NSC5025, HMS2267B15, NSC-5025, ZINC1529229, ZX-AT010567, 1002-62-6 (hydrochloride salt), Tox21_113533, Tox21_202209, Tox21_300366, ACM334485, ANW-27636, LMFA01010010, OR6006, STL445666, AKOS000119623, AN-1412, CAPRIC ACID, 99.5% (GLC), DB03600, LS-1213, MCULE-3914949169, RL03222, NCGC00091320-01, NCGC00091320-03, NCGC00091320-04, NCGC00091320-05, NCGC00254437-01, NCGC00259758-01, AK309802, LP003921, LS-59338, M249, SMR001252255, TR-013994, D0017, FT-0665532, ST51046284, EN300-19724, C01571, 4-02-00-01041 (Beilstein Handbook Reference), I04-1206, I04-12785, 98230577-0D20-4F70-B532-00AC60132CFE, InChI=1/C10H20O2/c1-2-3-4-5-6-7-8-9-10(11)12/h2-9H2,1H3,(H,11,12, CRC, Decanoic Acid, Decanoic Acid Anion |
172.26 |
3.75 |
0 |
False
|
8 |
4.79 |
|
1.17 |
False |
|
|
|
|
|
|
|
|
View |
|
DECITABINE |
CHEMBL1201129 |
Dacogen, Decitabine, DAC |
228.21 |
-1.87 |
0 |
True
|
2 |
|
3.49 |
-1.87 |
False |
|
|
|
|
|
|
|
|
View |
|
DEFEROXAMINE |
CHEMBL556 |
Desferrioxamine,Deferoxamine,Desferal |
560.68 |
-0.61 |
2 |
True
|
23 |
9.08 |
10.56 |
-3.4 |
False |
|
|
|
|
|
|
|
|
View |
|
DEFEROXAMINE MESYLATE |
CHEMBL1234 |
Desferrioxamine Mesylate, Deferoxamine Mesylate, Desferal Mesylate, SID11112937, SID11533050, SID124882730, Desferal, SID26747967, Desferrioxamine Mesilate, BA-33112, Deferoxamine Mesilate, DFO |
656.79 |
-0.61 |
2 |
True
|
23 |
9.08 |
10.56 |
-3.4 |
False |
|
|
|
|
|
|
|
|
View |
|
DEOXY CHOLATE |
CHEMBL412272 |
Deoxy Cholate, Taurodeoycholic |
499.71 |
|
0 |
False
|
7 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
115825-61-1 |
View |
|
DEOXYNIVALENOL |
CHEMBL513300 |
Deoxynivalenol |
296.32 |
|
0 |
False
|
1 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
51481-10-8 |
View |
|
DESIPRAMINE |
CHEMBL72 |
Desipramine, Pertofrane, SID50104283, SID50100220, SID90341801, SID11111067, Norpramin, SID11111066 |
266.38 |
3.97 |
0 |
True
|
4 |
|
10.4 |
1.27 |
False |
|
|
|
|
|
|
|
|
View |
|
DESMETHOXYYANGONIN |
CHEMBL254218 |
5,6-Dehydrokawain, 5,6-Dehydrokawin, Desmethoxyyangonin |
228.25 |
|
0 |
False
|
3 |
|
|
|
True |
|
|
|
|
|
|
ScreenWell |
15345-89-8 |
View |
|
DEXAMETHASONE |
CHEMBL384467 |
Decadron, Dexacen-4, Dexone 4, Kortico Injection, Aeroseb-Dex, Decaspray, Dexamethasone Palmitate, Maxidex, Mymethasone, Ozurdex, Dexair, Dexamethasone Intensol, Dexamethasone Metasulfobenzoate Sodium, Dexamethasone Valerate, SID26752876, Dalalone, Dexamethasone, Dexone, Dexone 0.75, Dexone 1.5, Fluormethylprednisolone, Decaderm, Decadron-LA, Dexacort, Hexadrol, SID17389945, Dexone 0.5, Neodecadron |
392.46 |
2.03 |
0 |
True
|
2 |
12.13 |
|
2.03 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
D-Glucose |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
DIAZEPAM |
CHEMBL12 |
Apozepam, DIASTAT, DIAZEPAM, Diastat, Diastat acudial, Diazepam, Diazepam intensol, Dizac, E-Pam, LA III, Paxel, Q-pam, RO 5-2807, Relanium, Scriptopam, Serenack, Stesolid, Tranimul, VALIUM, Valium, Valrelease, Vivol, WY-3467 |
284.74 |
2.8 |
0 |
False
|
1 |
|
3.4 |
2.8 |
False |
|
|
|
|
|
|
|
|
View |
|
DIBUTYL PHTHALATE |
CHEMBL272485 |
DIBUTYLPHTHALATE, DIBUTYL PHTHALATE |
278.35 |
|
0 |
False
|
8 |
|
|
|
False |
|
|
|
|
|
|
|
84-74-2 |
View |
|
DICLOFENAC |
CHEMBL139 |
SID24424557, Arthrotec, Diclofenac, Voltaren-XR, Cataflam, Solaraze, Voltaren, Voltaren Xr, Voltaren Ophthalmic, Cambia, DiclofenacNa |
296.15 |
4.55 |
0 |
True
|
4 |
4.18 |
|
1.44 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
DICLOFENAC SODIUM SALT |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
DICYCLOHEXYLAMINE |
CHEMBL1451838 |
DICYCLOHEXYLAMINE, N-Cyclohexylcyclohexanamine, 101-83-7, DCHA, N,N-Dicyclohexylamine, Cyclohexanamine, N-cyclohexyl-, Dicha, Dodecahydrodiphenylamine, Dicyklohexylamin, N,N-Diclohexylamine, N-Cyclohexyl-cyclohexylamine, Aminodicyclohexane, dicyclohexyl-amine, Bis(cyclohexyl)amine, Di-CHA, Cyclohexylcyclohexanamine, Dicyklohexylamin [Czech], NSC 3399, MLS002174250, CCRIS 6228, CHEBI:34694, HSDB 4018, XBPCUCUWBYBCDP-UHFFFAOYSA-N, EINECS 202-980-7, UN2565, BRN 0605923, NCGC00090955-03, SMR001224510, AI3-15334, DSSTox_CID_5018, DSSTox_RID_77630, DSSTox_GSID_25018, AG-617/02036022, CAS-101-83-7, di-cyclohexylamine, Dicyclohexyl amine, bis-cyclohexylamine, dicyklohexylamin(czech), AC1Q1HHA, AC1Q1HHB, Ac-|A-Ala-OH.DCHA, SCHEMBL500, AC1L1P3A, AC1Q4TS6, cid_7582, ACMC-1C91X, NCIOpen2_002862, Oprea1_024913, cyclohexanamine, N-cyclohexyl, Cyclohexanamine,N-cyclohexyl-, N,N-DICYCLOHXYL-AMINE, KSC175G6N, MLS002152900, BIDD:ER0258, UNII-1A93RJW924, WLN: L6TJ AM-AL6TJ, 185841_ALDRICH, 442564_SUPELCO, 3129-91-7 (nitrite), CHEMBL1451838, Cyclohexanamine, N -cyclohexyl-, DTXSID6025018, 36620_FLUKA, 36630_FLUKA, BDBM74256, DICYCLOHEXYLAMINE, PRACT., NSC3399, 1A93RJW924, ZINC982093, NSC-3399, Tox21_111044, Tox21_201771, Tox21_303097, ANW-14534, AR-1K6679, BBL002970, LS-340, MFCD00011658, SBB059756, STK379549, AKOS000119059, Tox21_111044_1, FCH2250670, MCULE-6930670206, TRA0044535, TRA0049234, UN 2565, NCGC00090955-01, NCGC00090955-02, NCGC00090955-04, NCGC00090955-05, NCGC00090955-06, NCGC00257081-01, NCGC00259320-01, 68052-37-9 (phosphate[3:1]), AJ-24627, AN-24586, BBV-46875530, Dicyclohexylamine [UN2565] [Corrosive], M273, OR034551, OR201718, SC-65537, Dicyclohexylamine [UN2565] [Corrosive], BB0294975, TR-000447, D0435, ST45255382, T7263, C14686, 4-12-00-00022 (Beilstein Handbook Reference), I14-7325, F2190-0312, T0517-8616, DICYCLOHEXYLAMINE (SEE ALSO DICYCLOHEXYLAMINE NITRITE 3129-91-7), InChI=1/C12H23N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h11-13H,1-10H, 111487-88-8, 111487-93-5, 111522-94-2, 157973-63-2, 856793-27-6, SID17389055, SID17389056 |
181.32 |
3.58 |
0 |
False
|
2 |
|
11.43 |
0.53 |
False |
|
|
|
|
|
|
|
|
View |
|
DIDANOSINE |
CHEMBL1460 |
BMY-40900, SID29215491, SID17389541, SID26754510, SID26719672, Videx, DDI, SID26757698, Didanosine, Videx Ec, Dideoxyinosine (DDI), SID49718183 |
236.23 |
-1.43 |
0 |
True
|
2 |
8.92 |
1.58 |
-1.44 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
DIELDRIN |
CHEMBL1873703 |
Compound 497, Dieldrin, HEOD |
380.91 |
4.48 |
0 |
True
|
0 |
|
|
4.48 |
False |
|
|
|
|
|
|
|
|
View |
|
DIETHYL 1,4-DIHYDRO-2,4,6-TRIMETHYL-3,5-PYRIDINEDICARBOXYLATE |
CHEMBL3409638 |
Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate |
267.32 |
|
0 |
False
|
4 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
DIETHYLCARBAMAZINE |
CHEMBL684 |
Diethylcarbamazine, DIETHYLCARBAMAZINE, Hetrazan, Diethylcarbamazine citrate |
199.3 |
|
0 |
True
|
2 |
|
|
|
True |
|
|
|
|
|
|
O'Brien, ScreenWell |
90-89-1 |
View |
|
DIETHYL MALEATE |
CHEMBL2037000 |
Diethyl Maleate, Diethylmaleate |
172.18 |
|
0 |
False
|
4 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
141-05-9 |
View |
|
DIETHYL PHTHALATE |
CHEMBL388558 |
DIETHYL PHTHALATE |
222.24 |
2.71 |
0 |
False
|
4 |
|
|
2.71 |
False |
|
|
|
|
|
|
|
|
View |
|
DIETHYLSTILBESTROL |
CHEMBL411 |
APSTIL, CYREN A, Diethylstilbestrol, DIETHYLSTILBESTROL, DISTILBENE, ESTROBENE, ESTROGENINE, ESTROMENIN, FONATOL, NEW-ESTRANOL 1, NSC-3070, PALESTROL, STILBESTROFORM, Stilbestrol, STILBESTROL, Stilbetin, Stilboesterol, STILBOESTROL, SYNESTRIN, SYNTHESTRIN, TAMPOVAGAN |
268.36 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
56-53-1 |
View |
|
DIGOXIN |
CHEMBL1751 |
DIGOXIN, Digoxin, Digoxin pediatric, LANOXIN, Lanoxicaps, Lanoxin, Lanoxin pediatric, Vanoxin |
780.94 |
3.81 |
3 |
True
|
7 |
|
4.43 |
3.8 |
False |
|
|
|
|
|
|
|
|
View |
|
DIHYDROMETHYSTICIN |
CHEMBL576066 |
Dihydromethysticin, (+)-Dihydromethysticin, Dihydromethylsticin |
276.29 |
|
0 |
False
|
4 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
19902-91-1 |
View |
|
Dihydrorhodamine 123 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
109244-58-8 |
View |
|
Di-isobutyl phthalate |
CHEMBL1370662 |
|
278.35 |
|
0 |
False
|
6 |
|
|
|
False |
|
|
|
|
|
|
|
84-69-5 |
View |
|
Di-isononyl phthalate |
CHEMBL1905899 |
|
418.62 |
|
1 |
False
|
16 |
|
|
|
False |
|
|
|
|
|
|
|
28553-12-0 |
View |
|
DILEVALOL |
CHEMBL27193 |
Dilevalol |
328.41 |
2.72 |
0 |
True
|
8 |
8.21 |
9.3 |
0.83 |
False |
|
|
|
|
|
|
|
|
View |
|
DILTIAZEM |
CHEMBL23 |
Cardizem, Dilt-CD, Diltiazem, DILTIAZEM, Diltzac, Tiamate, Tiazac, Diltiazem Hydrochloride |
414.53 |
|
0 |
True
|
6 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
42399-41-7 |
View |
|
Dimethyl 4-hydroxyphthalate |
CHEMBL2281544 |
|
210.19 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
22479-95-4 |
View |
|
DIMETHYLFORMAMIDE |
CHEMBL268291 |
SID26752801, SID17388882, SID17389908, Dimethylformamide |
73.09 |
-0.83 |
0 |
False
|
0 |
|
|
-0.83 |
True |
|
|
|
|
|
|
O'Brien |
|
View |
|
DIMETHYL FUMARATE |
CHEMBL2107333 |
Dimethyl Fumarate, AZL-0211089 |
144.13 |
0.32 |
0 |
True
|
4 |
8.99 |
9.65 |
-1.8 |
False |
|
|
|
|
|
|
|
|
View |
|
DIMETHYL SULFOXIDE |
CHEMBL504 |
Dimethyl Sulfoxide, Domoso, DMSO, SQ-9453, Infiltrina, Syntexan, Rimso 50, Rimso-50, SID26757375, Dimethylsulfoxide |
78.13 |
-1.41 |
0 |
True
|
0 |
|
|
-1.41 |
True |
|
|
|
|
|
|
O'Brien |
|
View |
|
Dimethyl terephthalate |
CHEMBL1870757 |
|
194.19 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
DIMPYLATE (DIAZINON) |
CHEMBL388560 |
G-24480, SID17389942, SID93576725, Dimpylate, Diazinon |
304.35 |
3.77 |
0 |
True
|
7 |
|
1.21 |
3.77 |
False |
|
|
|
|
|
|
|
|
View |
|
DINITROTOLUENE |
CHEMBL259865 |
2, 4-Dinitrotoluene, SID26753101, SID17389585 |
182.13 |
2.08 |
0 |
False
|
2 |
|
|
2.08 |
False |
|
|
|
|
|
|
|
|
View |
|
DINOSEB |
CHEMBL1892987 |
SID26757792 |
240.21 |
3.5 |
0 |
False
|
4 |
4.08 |
|
0.57 |
False |
|
|
|
|
|
|
|
|
View |
|
DIOXANE |
CHEMBL453716 |
1, 4-Dioxane |
88.11 |
-0.26 |
0 |
False
|
0 |
|
|
-0.26 |
True |
|
|
|
|
|
|
|
|
View |
|
DIPHENHYDRAMINE |
CHEMBL657 |
Benylin, SID50100219, SID11111059, Hydramine, SID104171144, SID124879862, SID11111060, SID85148365, Beldin, SID50104292, Silphen, SID26751623, Antitussive, Benadryl, Dibenil, Diphenhydramine, Belix, Diphen, SID90341811 |
255.35 |
3.43 |
0 |
True
|
6 |
13.67 |
2.74 |
3.43 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
Diphenolic acid (4,4-Bis(4-hydroxyphenyl)valeric acid) |
CHEMBL1325931 |
|
286.33 |
|
0 |
False
|
5 |
|
|
|
False |
|
|
|
|
|
|
|
126-00-1 |
View |
|
DIPHENYLAMINE |
CHEMBL38688 |
SID56436649, SID17389581 |
169.22 |
3.36 |
0 |
False
|
2 |
|
0.78 |
3.36 |
False |
|
|
|
|
|
|
|
|
View |
|
DIPYRONE |
CHEMBL461522 |
Diprofarn, DIPYRONE, Novaldin, Dipyrone |
311.36 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
68-89-3 |
View |
|
DIQUAT |
CHEMBL1625720 |
Diquat |
184.24 |
2.49 |
0 |
False
|
0 |
11.6 |
0.84 |
2.49 |
True |
|
|
|
|
|
|
O'Brien |
|
View |
|
DIQUAT DIBROMIDE |
CHEMBL1599022 |
SID26757100 |
344.05 |
2.49 |
0 |
False
|
0 |
11.6 |
0.84 |
2.49 |
True |
|
|
|
|
|
|
|
|
View |
|
DISULFIRAM |
CHEMBL964 |
Antabuse, Disulfiram, DISULFIRAM, ESPERAL, NSC-25953, ORA102, ORA-102 |
296.55 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
97-77-8 |
View |
|
DMEM/F12 with iHeps supplement |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
DMEM/F12 without iHeps supplement |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
DMEM/F12 without iHeps supplement, pre-differentiated iHeps into the 6-well plate |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
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View |
|
DMSO |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
DOCETAXEL |
CHEMBL92 |
Taxotere, SID494081, RP-56976, SID124950708, SID144206334, Docefrez, SID144206639, Docetaxel |
807.88 |
3.03 |
2 |
True
|
13 |
9.9 |
|
3.03 |
False |
|
|
|
|
|
|
|
|
View |
|
DOFETILIDE |
CHEMBL473 |
DOFETILIDE, TIKOSYN, UK-68,798 |
441.58 |
1.38 |
0 |
True
|
11 |
8.98 |
8.28 |
0.52 |
False |
|
|
|
|
|
|
|
|
View |
|
DOMPERIDONE |
CHEMBL219916 |
DOMPERIDONE, MOTILIUM, R 33,812, Domperidone, domperidone |
425.91 |
4.05 |
0 |
False
|
5 |
11.11 |
9.0 |
2.93 |
False |
|
|
|
|
|
|
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View |
|
dorsomorphin |
|
|
|
|
|
False
|
|
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|
|
False |
|
|
|
|
|
|
|
|
View |
|
DOTHIEPIN |
CHEMBL1492500 |
DOSULEPIN, DOTHIEPIN |
295.45 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
DOXORUBICIN |
CHEMBL53463 |
Adriamycin, Adriblastina, Hydroxydaunorubicin, Rubex, SID124886887, Doxil, Doxorubicin, SID124886893, Doxorubicin hydrochloride |
543.52 |
0.24 |
3 |
True
|
5 |
7.35 |
8.68 |
-1.47 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
DOXYCYCLINE |
CHEMBL1433 |
DOXYCYCLINE, GS-3065 |
444.43 |
1.78 |
1 |
True
|
2 |
4.5 |
10.84 |
-1.1 |
False |
|
|
|
|
|
|
|
|
View |
|
DOXYCYCLINE HYCLATE |
CHEMBL1200567 |
ATRIDOX, Alodox, DORYX, DOXY, DOXY 100, DOXY 200, DOXY-LEMMON, DOXYCHEL HYCLATE, DOXYCYCLINE HYCLATE, Doxy-Caps, PERIOSTAT, VIBRAMYCIN, Vibra-Tabs, Vibramycin Hyclate |
544.98 |
1.78 |
1 |
True
|
2 |
4.5 |
10.84 |
-1.1 |
False |
|
|
|
|
|
|
|
|
View |
|
DrugA |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
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|
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|
View |
|
DrugB |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
D-SERINE |
CHEMBL285123 |
D-Serine, SID26753645, SID144204821 |
105.09 |
-1.49 |
0 |
False
|
2 |
2.16 |
9.1 |
-3.99 |
False |
|
|
|
|
|
|
|
|
View |
|
DULOXETINE |
CHEMBL1175 |
Cymbalta, DULOXETINE, Duloxetine |
297.42 |
4.81 |
0 |
True
|
6 |
|
10.02 |
2.31 |
False |
|
|
|
|
|
|
|
|
View |
|
DYRENE (Anilazine) |
CHEMBL464135 |
SID17390042, SID50105464, Dyrene |
275.52 |
3.0 |
0 |
False
|
2 |
|
0.43 |
3.0 |
False |
|
|
|
|
|
|
|
|
View |
|
EAM-1 |
|
N,N,N-Trimethyl-2[(7-nitro-1,2,3-benzoxadiazol-4-yl)amino] ethanaminium iodide |
393.2 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
EBROTIDINE |
CHEMBL1742471 |
Ebrotidine |
477.42 |
1.85 |
0 |
True
|
10 |
|
8.22 |
1.38 |
False |
|
|
|
|
|
|
|
|
View |
|
Edaravone |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
EFAVIRENZ |
CHEMBL223228 |
Efavirenz, EFAVIRENZ, Sustiva, SUSTIVA 600 |
315.68 |
|
0 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
154598-52-4 |
View |
|
eLDL |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ELVITEGRAVIR |
CHEMBL204656 |
GS-9137, Elvitegravir, JTK-303 |
447.88 |
3.26 |
0 |
True
|
7 |
0.44 |
|
1.2 |
False |
|
|
|
|
|
|
|
|
View |
|
EMETINE |
CHEMBL50588 |
EMETINE, Emetine, GNF-Pf-196, TCMDC-125531 |
480.65 |
3.82 |
0 |
True
|
7 |
|
8.92 |
1.54 |
False |
|
|
|
|
|
|
|
|
View |
|
Empagliflozin |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
EMRICASAN |
CHEMBL197672 |
EMRICASAN, IDN 6556, PF 03491390 |
569.51 |
3.54 |
1 |
True
|
10 |
3.91 |
1.01 |
0.17 |
False |
|
|
|
|
|
|
|
|
View |
|
ENALAPRIL |
CHEMBL578 |
C09AA02, Enalapril, ENALAPRIL, Lexxel, Vaseretic, Vasotec |
376.45 |
|
0 |
True
|
9 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
75847-73-3 |
View |
|
ENALAPRILAT DIHYDRATE |
|
ENALAPRILAT DIHYDRATE, 84680-54-6, Enalprilate hydrate, Enalaprilat (dihydrate), UNII-GV0O7ES0R3, C18H24N2O5.2H2O, GV0O7ES0R3, 1-(N-((S)-1-Carboxy-3-phenylpropyl)-L-alanyl)-L-proline dihydrate, enalprilat hydrate, Enalaprilat (USP), Vasotec I.V., MK-422, L-Proline, 1-(N-(1-carboxy-3-phenylpropyl)-L-alanyl)-, dihydrate, (S)-, Enalaprilat [USAN:USP:INN:BAN], AC1OCEK7 |
384.429 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ENDOSULFAN |
CHEMBL194399 |
|
406.93 |
3.83 |
0 |
False
|
0 |
|
|
3.83 |
False |
|
|
|
|
|
|
|
|
View |
|
ENDRIN |
CHEMBL44072 |
SID17389922, SID26747345 |
380.91 |
4.48 |
0 |
False
|
0 |
|
|
4.48 |
False |
|
|
|
|
|
|
|
|
View |
|
ENTACAPONE |
CHEMBL953 |
Comtan, Entacapone, OR-611, SID26757974 |
305.29 |
2.12 |
0 |
True
|
5 |
5.15 |
|
0.1 |
False |
|
|
|
|
|
PPB= 98% , Bioavail= 29% , glucuronidation, sulfation, isomerization |
|
|
View |
|
ENZ-4176 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
epidermal growth factor, human |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
EPINEPHRINE |
CHEMBL679 |
Adrenaclick, Bronkaid Mist, Sus-Phrine, Epinephrine HCl, Epipen Jr., Levo-Methylaminoethanolcatechol, Sus-Phrine Sulfite-Free, Twinject 0.15, Twinject 0.3, Auvi-Q, Epinephrine, Primatene Mist, Epi E Z Pen Jr, Twinject, Adrenaline, Ana-Kit, Epipen, Epipen E Z Pen, Adrenalin |
183.2 |
5.37 |
0 |
True
|
3 |
|
9.62 |
3.2 |
False |
|
|
|
|
|
|
|
|
View |
|
EPIRUBICIN |
CHEMBL417 |
Ellence, Epirubicin |
543.52 |
0.24 |
3 |
True
|
5 |
7.35 |
8.68 |
-1.47 |
False |
|
|
|
|
|
|
|
|
View |
|
EPIRUBICIN HYDROCHLORIDE |
CHEMBL1200981 |
Epirubicin HCl, Farmorubicin, IMI-28, Ellence |
579.98 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ERLOTINIB |
CHEMBL553 |
CP-358774, ERLOTINIB, Erlotinib, OSI-774, R-1415, RG-1415, Ro-508231, TARCEVA |
393.44 |
3.03 |
0 |
True
|
10 |
|
5.32 |
3.03 |
False |
|
|
|
|
|
|
|
|
View |
|
ERYTHROMYCIN |
CHEMBL532 |
C-Solve-2, E-Solve 2, Erythra-Derm, Ilotycin, Pce, E-Base, E-Mycin, PCE, Pfizer-E, Benzamycin, Eryc 125, Erythro 200, Staticin, Ery-Tab, Bristamycin, Emgel, Eryc Sprinkles, Erycette, Erymax, Gallimycin, A/T/S, E-Glades, ERY-TAB, Eryderm, Erythrocin, R-P Mycin, Wyamycin, Akne-Mycin, Erypar, Erythro-Statin, Erythromycin, ERYC, Erygel, Robimycin, Sansac, T-Stat |
733.93 |
1.91 |
2 |
True
|
7 |
13.09 |
8.16 |
1.16 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
ESTRADIOL |
CHEMBL135 |
AGOFOLLIN, ALORA, Alfatradiol, Aquagen, CLIMARA, Climara Pro, DESTRADIOL, DIHYDROTHEELIN, DIHYDROXYESTRIN, Depo-Estradiol, Divigel, E-Cypionate, ELESTRIM, ESTRACE, ESTRADERM, ESTRADIOL, ESTRADIOL HEMIHYDRATE, ESTRING, ESTROGEL, Elestrin, Esclim, Estradiol, Estradiol hemihydrate, Estrasorb, Evamist, FEMPATCH, GVNODIOL, GYNERGON, GYNOESTRYL, Gynodiol, Gynogen, INNOFEM, MENOSTAR, MINIVELLE, OESTRADIOL, Oestradiol, VAGIFEM, VIVELLE, Vagifem 18, Vagifem 8, Vivelle-Dot |
272.38 |
4.15 |
0 |
True
|
0 |
10.27 |
|
4.15 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
ESTRONE |
CHEMBL1405 |
Estrogenic Substance, Estrone, Oestrone, Theelin |
270.37 |
3.62 |
0 |
True
|
0 |
10.25 |
|
3.62 |
False |
|
|
|
|
|
|
|
|
View |
|
ETHINYL ESTRADIOL |
CHEMBL691 |
Enovid, Enovid-E, Estinyl, Ethinyl Estradiol, ETHINYLESTRADIOL, ETHINYL ESTRADIOL, ETHINYLOESTRADIOL, Ethynylestradiol, Etinestryl, Feminone, Follicoral, Ginestrene, Lynoral, Norinyl, NSC-10973, Ovulen, Ovulen-21, Ovulen-28, Ethinyl estradiol |
296.41 |
|
0 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
535-32-0 |
View |
|
ETHIONINE |
CHEMBL203187 |
Ethionine, L-Ethionine |
163.24 |
|
0 |
False
|
5 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
13073-35-3 |
View |
|
Ethyl Eicosapentaenoic Acid |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
ETHYLENE THIOUREA |
CHEMBL11860 |
Ethylene Thiourea, SID8139920, Imidazolidine-2-Thione, SID17389885, SID50105643 |
102.16 |
-0.66 |
0 |
False
|
0 |
|
2.09 |
-0.66 |
True |
|
|
|
|
|
|
|
|
View |
|
ETHYLESTRENOL |
CHEMBL1200623 |
ETHYLESTRENOL, ETHYLNANDROL, ETHYLOESTRENOL, Maxibolin, Ethylestrenol |
288.48 |
|
1 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
965-90-2 |
View |
|
ETOMOXIR |
CHEMBL2051959 |
ETOMOXIR, Etomoxirum [Latin], 82258-36-4, etomoxir[inn], rac- Etomoxir, BRN 4496620, Ethyl 2-(6-(4-chlorophenoxy)hexyl)oxirane-2-carboxylate, ethyl 2-[6-(4-chlorophenoxy)hexyl]oxirane-2-carboxylate, Oxiranecarboxylic acid, 2-(6-(4-chlorophenoxy)hexyl)-, ethyl ester, Oxiranecarboxylic acid, 2-[6-(4-chlorophenoxy)hexyl]-, ethyl ester- [CAS], B 807-54, Ethyl 2-(6-(4-chlorophenoxy)hexyl)oxiranecarboxylate, SMR000449321, Rac-Etomoxir Ethyl Ester, C17H23ClO4, etoxomir, Etomoxirum, AC1L3XCY, MLS000758228, MLS001424024, SCHEMBL681359, AC1Q649V, CHEMBL1531556, CTK3E8891, HMS2051O21, HMS3393O21, AR-1J0699, CCG-100830, NC00080, NCGC00247305-01, CPD000449321, DR001500, LP112416, SAM001247025, LS-101001, C-19886, 2-[6-(4-Chlorophenoxy)hexyl]-2-oxiranecarboxylic acid ethyl ester, 2-[6-(4-Chlorophenoxy)hexyl]oxiranecarboxylic Acid, Ethyl Ester |
326.82 |
5.95 |
0 |
False
|
11 |
4.44 |
0.99 |
4.0 |
False |
|
|
|
|
|
|
|
|
View |
|
ETOPOSIDE |
CHEMBL44657 |
ETOPOSIDE, TOPOSAR, VEPESID, VP-16-213, Etoposide |
588.56 |
0.28 |
2 |
True
|
5 |
9.94 |
|
0.27 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
EUGENOL |
CHEMBL42710 |
eugenol, 4-Allyl-2-methoxyphenol, 4-Allylguaiacol, 97-53-0, Eugenic acid, Allylguaiacol, Caryophyllic acid, p-Allylguaiacol, p-Eugenol, 2-Methoxy-4-prop-2-enylphenol, 2-Methoxy-4-allylphenol, Engenol, 2-Methoxy-4-(2-propenyl)phenol, 4-Allylcatechol-2-methyl ether, 1,3,4-Eugenol, 1-Hydroxy-2-methoxy-4-allylbenzene, 2-Methoxy-1-hydroxy-4-allylbenzene, 4-Allyl-1-hydroxy-2-methoxybenzene, Synthetic eugenol, 2-Hydroxy-5-allylanisole, 1-Hydroxy-2-methoxy-4-prop-2-enylbenzene, 4-Hydroxy-3-methoxyallylbenzene, Phenol, 2-methoxy-4-(2-propenyl)-, 5-Allylguaiacol, 4-Hydroxy-3-methoxy-1-allylbenzene, Eugenol (natural), 1-Allyl-3-methoxy-4-hydroxybenzene, Phenol, 4-allyl-2-methoxy-, 2-Methoxy-4-(2-propen-1-yl)phenol, 4-Allylcatechol 2-methyl ether, 2-methoxy-4-(prop-2-en-1-yl)phenol, NCI-C50453, 1-allyl-4-hydroxy-3-methoxybenzene, Eugenol [USAN], FEMA No. 2467, CHEBI:4917, 2-Methoxy-4-(3-propenyl)phenol, Caswell No. 456BC, FEMA Number 2467, 2-Metoksy-4-allilofenol, FA 100, 4-allyl-2-methoxy-Phenol, NSC 209525, CCRIS 306, CHEMBL42710, Phenol, 2-methoxy-4-(2-propen-1-yl)-, UNII-3T8H1794QW, HSDB 210, RRAFCDWBNXTKKO-UHFFFAOYSA-N, 2-Metoksy-4-allilofenol [Polish], EINECS 202-589-1, Eugenol (USP), Eugenol [USP], MFCD00008654, 4-Allyl-1-Hydroxy-2-Methoxy Benzene, EPA Pesticide Chemical Code 102701, BRN 1366759, NCGC00091449-05, AK307784, AI3-00086, DSSTox_CID_617, DSSTox_RID_75693, DSSTox_GSID_20617, Q-201105, WLN: 1U2R DQ CO1, 2-Methoxy-4-[2-propenyl]phenol, CAS-97-53-0, bioxeda, dentogum, Eugenolum, Dentek Eugenol, Eugenol Special, Zonalin Liquid, 4-Allylguaicol, Caryophyllic ac id, Red Cross Toothache, 4-allyl-2methoxyphenol, 3s0e, AC1L1FNK, Spectrum2_001264, Spectrum3_000646, Spectrum4_001783, Spectrum5_000425, ACMC-1AOH6, bmse010053, Epitope ID:114091, AC1Q7AE5, Eugenol Toothache Medication, SCHEMBL20361, BSPBio_002251, E51791_ALDRICH, KBioGR_002327, KSC486Q8H, MLS000028901, BIDD:ER0696, Bio-0581, DivK1c_000692, SPECTRUM1500296, W246700_ALDRICH, W246719_ALDRICH, SPBio_001228, 35995_RIEDEL, AC1Q46B0, GTPL2425, ZINC1411, DTXSID9020617, 35995_FLUKA, 46100_FLUKA, CTK3I6883, HMDB05809, HMS502C14, KBio1_000692, KBio3_001471, NSC8895, 4-(2-Propenyl)-2-methoxyphenol, NINDS_000692, 3T8H1794QW, HMS1920O08, HMS2091F09, Pharmakon1600-01500296, BB_NC-00470, NSC-8895, 1-hydroxy-4-allyl-2-methoxybenzene, Tox21_111134, Tox21_202040, Tox21_300105, ANW-40868, AR-1J0704, BBL027721, BDBM50164168, CCG-38827, DNC010687, NSC209525, NSC757030, SBB012362, STL371304, ZINC00001411, 4 -allyl-1-hydroxy-2-methoxybenzene, 3-(3-methoxy-4-hydroxyphenyl)propene, AKOS000121354, Tox21_111134_1, DB09086, FCH2252865, FS-2702, LS-2027, NSC-209525, NSC-757030, SDCCGMLS-0066578.P001, 1-hydroxy-2-methoxy-4-propenylbenze ne, IDI1_000692, NCGC00091449-01, NCGC00091449-02, NCGC00091449-03, NCGC00091449-04, NCGC00091449-06, NCGC00091449-07, NCGC00091449-08, NCGC00091449-10, NCGC00253915-01, NCGC00259589-01, BBV-75779596, BC682398, BT000195, CJ-00049, K753, KB-51837, OR042429, OR381701, SMR000059114, ST069318, BB0295695, TR-038621, A0232, FT-0615974, N1805, Orajel Naturals Fast Relief for Teething Pain, C10453, D04117, AB00051992_02, I01-7260, I01-8770, BRD-K32977963-001-01-9, 2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol, InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H, Walgreens Natural Eugenol/toothache Medication With Cotton Pellets and Tweezers, EOL, Eugenol |
164.2 |
2.4 |
0 |
False
|
3 |
10.29 |
|
2.4 |
True |
|
|
|
|
|
|
O'Brien |
|
View |
|
EVEROLIMUS |
CHEMBL1908360 |
AFINITOR, AFINITOR DISPERZ, CERTICAN, EVEROLIMUS, RAD001, VOTUBIA, ZORTRESS |
958.24 |
4.18 |
3 |
True
|
9 |
10.4 |
|
4.18 |
False |
|
|
|
|
|
|
|
|
View |
|
Exemestane |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
EXENATIDE |
CHEMBL414357 |
AC 2993, AC-2993, AC002993, AC2993, AC2993A, Bydureon, Byetta, EXENATIDE, EXENATIDE SYNTHETIC, Exenatide Synthetic, Exenatide synthetic |
4186.57 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
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|
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View |
|
EXIFONE |
CHEMBL329522 |
Exifone |
278.21 |
-1.48 |
1 |
True
|
2 |
6.99 |
|
-2.46 |
False |
|
|
|
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View |
|
ExRad |
|
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False
|
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False |
|
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View |
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Ezetimibe |
|
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False
|
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|
|
False |
|
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View |
|
EZETIMIBE |
CHEMBL1138 |
EZETIMIBE, EZETROL, MK0653, SCH58235, SCH-58235, Zetia, Ezetimibe |
409.43 |
|
0 |
True
|
6 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
163222-33-1 |
View |
|
FAMOTIDINE |
CHEMBL902 |
Pepcid Rpd, SID85231052, SID144203704, SID26753575, Fluxid, SID11111194, Pepcid, SID50106279, SID26748463, SID11111195, MK-208, SID49681730, SID855518, Famotidine, Pepcid Ac |
337.45 |
-1.66 |
1 |
True
|
9 |
7.35 |
8.23 |
-2.83 |
False |
|
|
|
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|
O'Brien |
|
View |
|
FCCP |
CHEMBL457504 |
Carbonyl Cyanide P-Trifluoromethoxyphenyl Hydrazone, FCCP |
254.17 |
|
0 |
False
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
370-86-5 |
View |
|
FELBAMATE |
CHEMBL1094 |
SID855835, SID11113343, SID56422162, Felbamate, Felbatol, W-554, SID50104096, SID144203696, SID90340922 |
238.24 |
0.73 |
0 |
True
|
7 |
12.99 |
|
0.73 |
False |
|
|
|
|
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|
O'Brien |
|
View |
|
FENCLOZIC ACID |
CHEMBL1909282 |
SID29216130, Fenclozic Acid, ICI-54450 |
253.7 |
3.11 |
0 |
True
|
3 |
3.83 |
0.65 |
0.14 |
False |
|
|
|
|
|
|
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View |
|
FENFLURAMINE |
CHEMBL87493 |
Fenfluramine, SID29215428 |
231.26 |
3.55 |
0 |
True
|
5 |
|
10.23 |
0.91 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
FENOFIBRATE |
CHEMBL672 |
Fenofibrate, Antara, Lipidil, Fenoglide, Tricor, Triglide, Lipofen |
360.83 |
5.8 |
1 |
True
|
7 |
|
|
5.8 |
False |
|
|
|
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|
O'Brien |
|
View |
|
FENOPROFEN |
CHEMBL1297 |
53858, Fenoprofen, FENOPROFEN, LILLY-53858, Nalfon, NSC-757813, PROGESIC |
242.27 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
|
29679-58-1 |
View |
|
FENTANYL |
CHEMBL596 |
ABSTRAL, ABSTRAL-, ACTIQ, AD 923, AD-923, BREAKYL, Duragesic, DURAGESIC-100, DURAGESIC-12, DURAGESIC-25, DURAGESIC-37, DURAGESIC-50, DURAGESIC-75, DUROGESIC, DUROGESIC DTRANS, DUROGESIC D-TRANS, EFFENTORA, EN3267, EN-3267, FENCINO, FENDROP, FENTALIS RESERVOIR, FENTANEST, FENTANYL, FENTANYL-100, FENTANYL-12, FENTANYL-25, FENTANYL-37, FENTANYL-50, FENTANYL-62, FENTANYL-75, FENTANYL-87, FENTANYL CII, Fentora, IDS-NF-001, Innovar, Ionsys, IONSYS, Leptanal, MATRIFEN, MEZOLAR MATRIX, MYLAFENT, N02AB03, OPIODUR, Oralet, OSMACH, OSMANIL, PECFENT, PHENTANYL, R 4263, RECIVIT, RECUVYRA, SUBLIMASE, Sublimaze, SUBSYS, TILOFYL, VICTANYL, YEMEX |
336.48 |
|
0 |
True
|
6 |
|
|
|
False |
|
|
|
|
|
|
|
437-38-7 |
View |
|
FEXOFENADINE |
CHEMBL914 |
Allegra, FEXOFENADINE, Fexofenadine |
501.66 |
7.74 |
1 |
False
|
10 |
7.43 |
|
7.45 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
fgf-18 |
|
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|
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False
|
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|
|
False |
|
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View |
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FGF18 |
|
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|
|
False
|
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|
False |
|
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|
|
|
|
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View |
|
FIALURIDINE |
CHEMBL271475 |
FIALURIDINE, FIAU, Fialuridine |
372.09 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
69123-98-4 |
View |
|
Fine particulate matter (NIST2786) |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
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|
View |
|
FINGOLIMOD |
CHEMBL314854 |
FINGOLIMOD, Fingolimod, GILENYA |
307.48 |
4.18 |
0 |
True
|
12 |
12.21 |
8.71 |
1.72 |
False |
|
|
|
|
|
|
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|
View |
|
FIPEXIDE |
CHEMBL254857 |
Fipexide, SID11112737, SID49716199 |
388.84 |
5.51 |
0 |
True
|
5 |
|
|
5.51 |
False |
|
|
|
|
|
|
|
|
View |
|
FIPRONIL |
CHEMBL101326 |
SID26747831, Fipronil, MB-46030, SID144204852, RM-1601 |
437.15 |
3.98 |
1 |
True
|
4 |
|
|
3.98 |
False |
|
|
|
|
|
|
|
|
View |
|
FLECAINIDE |
CHEMBL652 |
Almarytm, Ecrinal, Flecaine, Flecainide, Tambocor, Apocard |
414.34 |
3.19 |
0 |
True
|
9 |
|
9.69 |
1.05 |
False |
|
|
|
|
|
|
|
|
View |
|
FLUCONAZOLE |
CHEMBL106 |
Diflucan, Triflucan, Diflucan In Sodium Chloride, SID26748877, Fluconazole, SID49666152, Fluconazole In Sodium Chloride, UK-49858 |
306.27 |
2.01 |
0 |
True
|
5 |
4.72 |
2.06 |
0.09 |
False |
|
|
|
|
|
|
|
|
View |
|
FLUCYTOSINE |
CHEMBL1463 |
ALCOBON, Ancoban, Ancobon, ANCOTIL, Flourocytosine, FLUCYTOSINE, Fluorocytosine, NSC-103805, RO 2-9915, RO-29915, RO-2-9915, Flucytosine |
129.09 |
|
0 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
2022-85-7 |
View |
|
FLUDIOXONIL |
CHEMBL485833 |
Fludioxonil, SID26757296 |
248.19 |
3.59 |
0 |
False
|
1 |
|
|
3.59 |
False |
|
|
|
|
|
|
|
|
View |
|
FLUFENAMIC ACID |
CHEMBL23588 |
Arlef, CI 440, CI-440, CN-27554, CN-27,554, FLUFENAMIC ACID, INF-1837, MERALEN, NSC-219007, NSC-82699, Flufenamate |
281.23 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
530-78-9 |
View |
|
FLUMAZENIL |
CHEMBL407 |
ANEXATE, FLUMAZENIL, Flumazepil, FLUMAZEPIL, Mazicon, RO-151788, RO-15-1788, RO 15-1788/000, RO-151788000, RO-1722, RO-41-8157, Romazicon, Flumazenil |
303.29 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
78755-81-4 |
View |
|
FLUOROSULFONIC ACID |
CHEMBL1207889 |
Fluorosulfonic acid, Fluorosulfuric acid, Fluosulfuric acid, 7789-21-1, Fluorosulphonic acid, Fluorosulphuric acid, Monofluorosulfuric acid, FLUOSULFONIC ACID, Fluorosulfuric acid (HSO3F), HSDB 467, EINECS 232-149-4, sulfurofluoridic acid, UN1777, Fluoridosulfonic acid, Fluorinesulfonic acid, Fluorosulfuric-acid-, Sulfuric fluorohydrin, Epoxysulfonyl fluoride, Fluoridosulphonic acid, Fluorinesulphonic acid, Sulphurofluoridic acid, FLUOROSULFONICACID, AC1L2NJT, AC1Q7DNC, AC1Q4OZ1, DSSTox_CID_13511, DSSTox_RID_79079, DSSTox_GSID_33511, 236535_ALDRICH, CHEMBL1207889, DTXSID3033511, UNII-PPX0648643, CTK0I2482, UQSQSQZYBQSBJZ-UHFFFAOYSA-N, Tox21_202147, MFCD00066174, PC4265, PPX0648643, NCGC00091007-01, NCGC00091007-02, NCGC00259696-01, IN001834, IN018927, LS-69355, OR035656, CAS-7789-21-1, Fluorosulfonic acid [UN1777] [Corrosive], Fluorosulfonic acid [UN1777] [Corrosive], W-104294, SID17388999 |
100.07 |
7.62 |
0 |
False
|
0 |
|
9.47 |
4.89 |
False |
|
|
|
|
|
|
|
|
View |
|
FLUOROURACIL |
CHEMBL185 |
Fluorouracil, Fluoroplex, Fluracil, Ro-29757, Carac, Efudex, SID82653, SID90341469, 5-Fluorouracil, Adrucil, 5-FU, SID85231050 |
130.08 |
-0.65 |
0 |
True
|
0 |
6.73 |
|
-1.64 |
True |
|
|
|
|
|
|
|
|
View |
|
FLUOXETINE |
CHEMBL41 |
Prozac, Sarafem, Symbyax, SID104171153, SID26755310, SID26751973, SID50104648, Fluoxetine, SID90341619, SID144203695, Prozac Weekly, FluoxetineHCl |
309.33 |
1.86 |
0 |
True
|
7 |
5.19 |
7.37 |
-0.39 |
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
FLUOXYMESTERONE |
CHEMBL1445 |
ANDROID-F, Androxy, FLUOXIMESTERONE, Fluoxymesterone, FLUOXYMESTERONE, FLUOXYMESTERONE CIII, Halotestin, NSC-10704, NSC-12165, Ora-testryl |
336.45 |
|
0 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
76-43-7 |
View |
|
FLUPHENAZINE HYDROCHLORIDE |
CHEMBL1448187 |
FLUPHENAZINE DIHYDROCHLORIDE, FLUPHENAZINE HYDROCHLORIDE, MODITEN, NSC-179197, Permitil, Prolixin, SQUIBB 4918, Fluphenazine dihydrochloride |
510.45 |
|
0 |
True
|
6 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
146-56-5 |
View |
|
FLUTAMIDE |
CHEMBL806 |
SID26753015, SID104171162, SID17388997, SID26747366, SID144203705, Flutamide, SCH-13521, SID85231055, SID11532925, SID90341271, Drogenil, SID50105597, SID124880151, SID50105599, SID26747365, SID50105598, SID49675006, Eulexin, SID26753014, SID11111203, SID11111202, SID124880153, SID50105600 |
276.21 |
3.31 |
0 |
True
|
4 |
12.41 |
|
3.31 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
FLUVASTATIN |
CHEMBL2220442 |
Fluvastatin |
411.47 |
|
0 |
True
|
8 |
5.05 |
|
|
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
FOLIC ACID |
CHEMBL1622 |
B03BB01, BIO SCIENCE, FOLACIN, Folic Acid, FOLIC ACID, FOLICARE, Folicet, FOLSAN, Folvite, LEXPEC, NATUR FLOW, NSC-3073, PRECONCEIVE, PTEROYLGLUTAMIC ACID, ROCHE, Vitamin Bc, Vitamin M, Folate, Folic acid |
441.4 |
|
1 |
True
|
9 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
59-30-3 |
View |
|
FOLINIC ACID |
CHEMBL1232801 |
FOLINIC ACID, Folinic Acid |
473.45 |
|
1 |
False
|
10 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
58-05-9 |
View |
|
FORMALDEHYDE |
CHEMBL1255 |
DOWLING'S, E240, Formaldehyde, FORMALDEHYDE, FORMALDEHYDE SOLUTION, FORMALIN, NSC-298885, VERACUR |
30.03 |
|
0 |
True
|
0 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
50-00-0 |
View |
|
FOSCARNET |
CHEMBL666 |
Dihydroxyphosphinecarboxylic Acid Oxide, Foscarnet, FOSCARNET, J05AD01 |
126.0 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
4428-95-9 |
View |
|
Fulvestrant |
CHEMBL2093866 |
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
FURAZOLIDONE |
CHEMBL1103 |
Furall, Furazolidone, FURAZOLIDONE, Furoxone, NIFURAZOLIDONE, NSC-6469 |
225.16 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
67-45-8 |
View |
|
FUROSEMIDE |
CHEMBL35 |
Aquamed, Disal, FRUSEMIDE, FUROSEMIDE, Frusemide, Furosemide, LASIX, LB-502 |
330.74 |
2.3 |
0 |
True
|
5 |
3.04 |
|
-0.82 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
FUSARIOTOXIN |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
FUSIDIC ACID |
CHEMBL374975 |
CEM-102, FUCIDIN CAVIJECT, FUCITHALMIC, FUSIDIC ACID, NSC-56192, SQ 16,603, SQ-16603, Fucidin, Fusidic Acid |
516.72 |
|
2 |
True
|
5 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
6990-06-3 |
View |
|
GABAPENTIN |
CHEMBL940 |
SID90340599, SID50103936, SID11112806, SID11113327, SID104171164, Gabapentin, Neurontin, SID855579, CI-945, GOE-3450, Gralise |
171.24 |
1.08 |
0 |
True
|
3 |
4.73 |
10.27 |
-1.42 |
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
GALACTOSAMINE |
CHEMBL3304228 |
Galactosamine |
179.17 |
|
0 |
False
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
7535-00-4 |
View |
|
GEFITINIB |
CHEMBL939 |
SID50100103, SID137275808, ZDJ-839, Gefitinib, SID29215403, SID144205236, SID103905344, SID103905343, Iressa, ZD-1839 |
446.9 |
2.7 |
0 |
True
|
8 |
|
7.0 |
2.56 |
False |
|
|
|
|
|
|
|
|
View |
|
GEMFIBROZIL |
CHEMBL457 |
CI-719, EMFIB, GEMFIBROZIL, Lopid, Gemfibrozil |
250.34 |
|
0 |
True
|
6 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
25812-30-0 |
View |
|
GEMTUZUMAB |
CHEMBL2108342 |
Gemtuzumab |
|
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
GENISTEIN |
CHEMBL44 |
BIO 300, BIO-300, Bonistein, FW-635I-2, GENISTEIN, NPI-031L, NSC-36586, SIPI-807-1 |
270.24 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
|
446-72-0 |
View |
|
GENTAMICIN |
CHEMBL3039597 |
Genoptic, Bristagen, SCH-9724, Apogen, Garacin, Gentacidin, Gentak, Uromycine, Gentafair, Gentamicin, U-Gencin |
1390.71 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
GENTAMICIN SULFATE |
CHEMBL3039594 |
Apogen, BRISTAGEN, CIDOMYCIN, CIDOMYCIN INTRATHECAL, Garamycin, Genoptic, GENTACIDIN, GENTAFAIR, Gentak, GENTAMICIN C COMPLEX SULFATE, GENTAMICIN SULFATE, GENTAMICIN SULPHATE, GENTICIN, GENTICIN INTRATHECAL, LUGACIN, NSC-82261, SCH 9724, SCH-9724, SEPTOPAL, U-GENCIN, Gentamicin sulfate (mixture of gentamicin C1, gentamicin C2, and gentamicin C1A), Gentamycin, Gentamicin Sulfate |
1488.81 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
1405-41-0 |
View |
|
GGF2 |
|
cimaglermin alfa, neuroregulin compound; glial growth factor 2 |
34000.0 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
GLAFENINE |
CHEMBL146095 |
Glycerylaminophenaquine, Glaphenine, R-1707, Glafenine, SID26748455 |
372.8 |
3.02 |
0 |
True
|
7 |
13.07 |
5.64 |
3.01 |
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
GLIMEPIRIDE |
CHEMBL1481 |
SID49648856, HOE-490, Glimepiride, Amaryl |
490.62 |
3.45 |
0 |
True
|
7 |
5.1 |
|
1.51 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
gliquidone |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
GLUCAGON |
CHEMBL266481 |
GLUCAGON, GLUCAGON RECOMBINANT, GlucaGen Hypokit, Glucagon Emergency Kit |
3482.8 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
GLUCONOLACTONE |
CHEMBL1200829 |
E575, GLUCONOLACTONE, Glucono δ-lactone |
178.14 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
90-80-2 |
View |
|
GLUCOSAMINE |
CHEMBL493287 |
GLUCOSAMINE, Glucosamine |
179.17 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
3416-24-8 |
View |
|
GLYBURIDE |
CHEMBL472 |
DIABETA, GLIBENCLAMIDE, GLYBURIDE, GLYNASE, Glyburide, Glyburide (micronized), Glynase PresTab, HB 419, HB-419, MICRONASE, U-26,452, U-26452, Glibenclamide |
494.0 |
3.08 |
0 |
True
|
8 |
5.11 |
|
1.14 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
GLYCITEIN |
CHEMBL513024 |
Glycitein |
284.27 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
|
40957-83-3 |
View |
|
GM-CSF |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
GREPAFLOXACIN |
CHEMBL583 |
Grepafloxacin, SID50112780, Raxar, Vaxor |
359.39 |
0.17 |
0 |
True
|
3 |
9.83 |
9.06 |
-1.54 |
False |
|
|
|
|
|
|
|
|
View |
|
GRISEOFULVIN |
CHEMBL562 |
FULCIN, FULCIN 125, FULCIN 500, FULSOVIN, Fulvicin, Fulvicin-P/G, FULVICIN P/G, FULVICIN P/G 165, FULVICIN P/G 330, Fulvicin-U/F, Grifulvin, Grifulvin V, Grisactin, GRISACTIN ULTRA, Griseofulvin, GRISEOFULVIN, GRISEOFULVIN, MICROCRYSTALLINE, GRISEOFULVIN, MICROSIZE, GRISEOFULVIN PERMEABILITY DIAMETER, GRISEOFULVIN, ULTRAMICROCRYSTALLINE, GRISEOFULVIN,ULTRAMICROSIZE, GRISEOFULVIN, ULTRAMICROSIZE, GRISOL AF, Gris-PEG, Grivate, NSC-34533, ULTRAGRIS-165, ULTRAGRIS-330, (+)-Griseofulvin |
352.77 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
126-07-8 |
View |
|
GUANAZOLE |
CHEMBL56973 |
Guanazole, Diaminotriazole |
99.1 |
|
0 |
False
|
0 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
1455-77-2 |
View |
|
GW-9662 |
CHEMBL375270 |
GW-9662, 2-Chloro-5-nitro-N-phenylbenzamide |
276.68 |
3.08 |
0 |
False
|
3 |
11.77 |
|
3.08 |
False |
|
|
|
|
|
|
|
|
View |
|
H+ |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
HALOTHANE |
CHEMBL931 |
Rhidialothan, Fluothane, SID17388981, Halothane |
197.38 |
2.33 |
0 |
True
|
1 |
|
|
2.33 |
True |
|
|
|
|
|
|
O'Brien |
|
View |
|
Hemin |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
HEPTACHLOR |
CHEMBL194400 |
SID17389863, SID85148760, SID26747770 |
373.32 |
5.71 |
0 |
False
|
0 |
|
|
5.71 |
False |
|
|
|
|
|
|
|
|
View |
|
HEXACHLOROBUTADIENE |
CHEMBL389950 |
Hexachloro-1, 3-Butadiene, SID17389861, SID26752968, Hexachlorobuta-1, 3-Diene, Perchlorobuta-1, 3-Diene |
260.76 |
4.91 |
0 |
False
|
1 |
|
|
4.91 |
False |
|
|
|
|
|
|
|
|
View |
|
HEXYLRESORCINOL |
CHEMBL443605 |
Hexylresorcinol, HEXYLRESORCINOL, SUCRETS |
194.27 |
|
0 |
True
|
5 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
136-77-6 |
View |
|
Hoechst 33342, Trihydrochloride, Trihydrate |
CHEMBL343002 |
HOE-33342 |
452.56 |
|
0 |
False
|
5 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
HYALURONIC ACID |
CHEMBL1697748 |
Hyaluronic Acid |
776.65 |
-6.66 |
3 |
True
|
12 |
2.69 |
|
-11.41 |
False |
|
|
|
|
|
|
|
|
View |
|
HYDRALAZINE |
CHEMBL276832 |
HYDRALAZINE, HYDRALAZINE POLISTIREX, NSC-126699, Hydralazine |
160.18 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
86-54-4 |
View |
|
HYDROCHLORIC ACID |
CHEMBL1231821 |
E507, HYDROCHLORIC ACID, HCl, Hydrochloric Acid |
36.46 |
|
0 |
True
|
0 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
|
View |
|
HYDROXYCHLOROQUINE |
CHEMBL1535 |
Hydroxychloroquine, HYDROXYCHLOROQUINE |
335.88 |
|
0 |
True
|
9 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
HYDROXYLAMINE SULFATE |
CHEMBL3183215 |
Hydroxylamine sulfate (2:1), Bis(hydroxylamine) sulfate, bis(hydroxyammonium) sulfate, Hydroxylamine neutral sulfate, Hydroxylamine, sulfate (2:1), EINECS 233-118-8, UN2865, Hydroxylamine, sulfate (2:1) (salt), hydroxyazanium sulfate, hydroxyl ammonium sulfate, AC1L2NPU, hydroxyl ammonium sulphate, hydroxyl-ammonium sulphate, DSSTox_CID_5424, bis(hydroxyazanium) sulfate, DSSTox_RID_77780, DSSTox_GSID_25424, UNII-49KP498D4O, CHEMBL3183215, DTXSID2025424, CTK5I5417, VGYYSIDKAKXZEE-UHFFFAOYSA-L, 49KP498D4O, Tox21_202730, LS-320, NCGC00091929-01, NCGC00260278-01, IN001862, CAS-10039-54-0, Hydroxylamine sulfate [UN2865] [Corrosive], Hydroxylamine sulfate [UN2865] [Corrosive] |
164.14 |
-0.16 |
0 |
False
|
0 |
|
0.54 |
-0.16 |
True |
|
|
|
|
|
|
|
|
View |
|
HYDROXYUREA |
CHEMBL467 |
SID26747533, SID50106399, Hydroxyurea, Droxia, Hydroxycarbamide, SID11111283, SQ-1089, Hydrea |
76.05 |
-1.8 |
0 |
True
|
0 |
10.56 |
|
-1.8 |
False |
|
|
|
|
|
|
|
|
View |
|
IBUFENAC |
CHEMBL341812 |
Ibufenac, Dytransin, RD-11654, SID29216132 |
192.25 |
3.25 |
0 |
True
|
4 |
4.36 |
|
0.29 |
False |
|
|
|
|
|
|
|
|
View |
|
IBUPROFEN |
CHEMBL521 |
Motrin Ib, Children's Elixsure, Junior Strength Advil, Rufen, SID85231082, Tab-Profen, Children'S Ibuprofen, Children's Advil-Flavored, Ibu-Tab, Pediatric Advil, Advil, Ibuprin, Medipren, Motrin, SID855602, U-18573, Advil Liqui-Gels, Caldolor, Children's Advil, Ibu-Tab 200, Ibuprohm, Junior Strength Ibuprofen, Midol Liquid Gels, Motrin Migraine Pain, Children'S Motrin, Ibu, Nuprin, SID90341584, Advil Migraine Liqui-Gels, Cap-Profen, Profen, Aches-N-Pain, Ibuprofen, Junior Strength Motrin, Midol |
206.28 |
3.5 |
0 |
True
|
4 |
4.41 |
|
0.58 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
IFN-γ |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
IFOSFAMIDE |
CHEMBL1024 |
Ifex, IFOSFAMIDE, Ifsofamide, MITOXANA, MJF 9325, MJF-9325, NSC-109724, Z4942, Z-4942, Ifosfamide |
261.09 |
|
0 |
True
|
5 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
3778-73-2 |
View |
|
iHep/HMEC-1 mixed media |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
iHep Media |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
IL1-RA |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
IL-6 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
IMATINIB |
CHEMBL941 |
Gleevec, Imatinib, IMATINIB, STI-571 |
493.62 |
|
0 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
IMIPENEM |
CHEMBL148 |
Imipenem, SID90341794 |
299.35 |
4.5 |
0 |
False
|
7 |
4.07 |
2.06 |
1.58 |
False |
|
|
|
|
|
|
|
|
View |
|
IMIPRAMINE |
CHEMBL11 |
Imipramine, IMIPRAMINE, Janimine, NSC-169866, ORG-2463, Pramine, Presamine, Tofranil, Tofranil-PM, TRIMIPRAMINE MALEATE IMPURITY, IMIPRAMINE-, ImipramineHCl |
280.42 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
50-49-7 |
View |
|
IMIQUIMOD |
CHEMBL1282 |
ALDARA, Aldara, IMIQUIMOD, R-837, S26308, ZYCLARA |
240.31 |
3.01 |
0 |
True
|
2 |
|
6.28 |
2.89 |
False |
|
|
|
|
|
|
|
|
View |
|
INAMRINONE |
CHEMBL12856 |
Amrinone, inamrinone, 60719-84-8, Wincoram, Inocor, Cordemcura, Amcoral, 5-Amino-[3,4'-bipyridin]-6(1H)-one, Win-40680, Amrinon, Amrinona, Amrinonum, Inamrinone lactate, Amrinonum [INN-Latin], Amrinona [INN-Spanish], 3-Amino-5-(4-pyridinyl)-2(1H)-pyridinone, WIN 40680, C10H9N3O, Vesistol, MLS000069829, 5-Amino-(3,4'-bipyridin)-6(1H)-one, Prestwick_44, UNII-JUT23379TN, Inamrinone (USP), Amcoral (TN), CHEMBL12856, AWD 08-250, CCRIS 3794, SMR000058850, Amrinone (JAN/INN), Spectrum_001350, AC1L1GIK, Prestwick0_000800, Prestwick1_000800, Prestwick2_000800, Prestwick3_000800, Spectrum2_001980, Spectrum3_000956, Spectrum4_001069, Spectrum5_000999, EINECS 262-390-0, 5-amino-3,4'-bipyridin-6(1H)-one, (3,4'-BIPYRIDIN)-6(1H)-ONE, 5-AMINO-, BRN 0744819, NCGC00164379-01, BSPBio_000940, KBioGR_001398, KBioSS_001830, A4056_SIGMA, Bio-0795, DivK1c_000136, 5-Amino-(3,4'-bipyridine)-6(1H)-one, Inamrinone [USAN:BAN:INN], SPBio_002139, SPBio_002879, SPECTRUM1503084, CAS-60719-84-8, MLS001074083, 3-amino-5-pyridin-4-yl-1H-pyridin-2-one, BPBio1_001034, HMS500G18, KBio1_000136, KBio2_001830, KBio2_004398, KBio2_006966, KBio3_002052, CID3698, NINDS_000136, RNLQIBCLLYYYFJ-UHFFFAOYSA-N, HMS1570O22, STK590307, ZINC08673078, Amrinone lactate, DB01427, IDI1_000136, 5-Amino(3,4'-bipyridin)-6(1H)-one, NCGC00016896-01, NCGC00095984-01, AC-12186, AK-99994, LS-44658, [3,4'-Bipyridin]-6(1H)-one, 5-amino-, DSSTox_CID_2603, D00231, DSSTox_RID_76655, DSSTox_GSID_22603, 5-25-15-00181 (Beilstein Handbook Reference), BRD-K45924332-001-04-4, I06-0688, W-105234, 5-Amino[3,4'-bipyridin]-6(1H)-one, Inocorreg, Inocor Liq 5mg/ml, Opera_ID_1054, cid_3698, SCHEMBL44012, GTPL7202, JUT23379TN, DTXSID9022603, SCHEMBL13457017, 5-amino-3,4'-bipyridin-6-ol, BDBM34651, CTK8A0862, CTK8B7264, HMS2097O22, HMS2234F12, HMS3264E16, HMS3369J10, Pharmakon1600-01503084, EBD25770, ZINC8673078, Tox21_112110, Tox21_301847, ANW-56874, BG0040, CCG-39487, DAP000610, DAP001392, FCH835239, GP7331, NSC759805, AKOS005512516, Tox21_112110_1, API0001483, KS-5178, MCULE-2781267039, NSC-759805, 3-amino-5-(pyridin-4-yl)pyridin-2-ol, NCGC00016896-02, NCGC00016896-03, NCGC00016896-06, NCGC00255137-01, AJ-57896, AN-39455, CC-24111, DR000256, HE246408, HE360664, KB-47388, SC-11925, 3-amino-5-(4-pyridyl)hydropyridin-2-one, 5-Amino(3,4'-bipyridine)-6-(1H)-one, 5-Amino-(3,4?-bipyridin)-6(1H)-one, 3-Amino-5-(4-pyridinyl)-2(1H)pyridinone, 3-amino-5-(4-pyridyl)-1H-pyridin-2-one, AX8012830, 3-azanyl-5-pyridin-4-yl-1H-pyridin-2-one, FT-0601595, ST51014892, M-2461, 5-Amino-(3,4'-bipyridin)-6(1H)-one; Inocor, AB00052312-04, AB00052312_05, 3-Amino-5-(4-pyridinyl)-1,2-dihydro-2-pyridone, A832852, C-07649, 3-amino-5-(pyridin-4-yl)-1,2-dihydropyridin-2-one, Inamrinone, WIN-40680 |
187.2 |
-0.21 |
0 |
False
|
1 |
12.05 |
5.72 |
-0.22 |
False |
|
|
|
|
|
|
|
|
View |
|
INDOMETHACIN |
CHEMBL6 |
SID90340917, Indocin, Indometacin, Indomethacin, Desmethyl indomethacin, SID856012, Indocin SR, Indo-Lemmon, Indometacin Farnesil, SID85231093, SID56422212 |
357.79 |
4.25 |
0 |
True
|
4 |
3.96 |
|
0.98 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
INDOPROFEN |
CHEMBL15870 |
INDOPROFEN, K 4277, Indoprofen |
281.31 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
31842-01-0 |
View |
|
INFLIXIMAB |
CHEMBL1201581 |
ABP 710, ABP-710, AVSOLA, BOW015, BOW-015, cA2, CT P13, CT-P13, CT-P-13, INFIMAB, INFLECTRA, INFLIXIMAB, INFLIXIMAB ABDA, INFLIXIMAB-ABDA, INFLIXIMAB AXXQ, INFLIXIMAB-AXXQ, INFLIXIMAB DYYB, INFLIXIMAB-DYYB, INFLIXIMAB-HJMT, INFLIXIMAB (JANSSEN), INFLIXIMAB-PFIZER, INFLIXIMAB QBTX, INFLIXIMAB-QBTX, INFLIXIMAB (REMICADE), IXIFI, NI-071, PF-06438179, REMICADE, REMSIMA, TA-650, ZESSLY |
|
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
170277-31-3 |
View |
|
INOSITOL |
CHEMBL1222251 |
CYCLOHEXANEHEXOL, INOSITOL, MESO-INOSITOL, NSC-25142, NSC-404118, NSC-55551, NSC-8101, Myo-inositol, Inositol |
180.16 |
|
1 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
6917-35-7 |
View |
|
Insulin (Bovine Pancreas) |
|
|
5733.55 |
|
|
False
|
176 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
Insulin (Recombinant Human) |
CHEMBL1201631 |
AFREZZA, EXUBERA, HUMULIN, HUMULIN BR, HUMULIN R, HUMULIN R KWIKPEN, HUMULIN R PEN, INS HUMULIN R, INSULIN, INSULIN (HUMAN), INSULIN HUMAN, INSULIN HUMAN (BIOSYNTHESIS), INSULIN HUMAN (SYNTHESIS), INSULIN RECOMBINANT HUMAN, INSULIN RECOMBINANT PURIFIED HUMAN, INSUMAN INFUSAT, Insulin Recombinant Human, Insulin recombinant human, NOVOLIN, NOVOLIN R, VELOSULIN, VELOSULIN BR, VELOSULIN BR HUMAN |
|
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
INTERFERON BETA-1B |
CHEMBL1201563 |
BETASERON, Extavia, INTERFERON BETA-1B |
19879.7781 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
Interleukin-1Beta |
|
Catabolin, IL-1 beta, IL1F2, IL-1β |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
IODOMETHANE |
CHEMBL115849 |
Iodomethane |
141.94 |
|
0 |
False
|
0 |
|
|
|
True |
|
|
|
|
|
|
|
74-88-4 |
View |
|
IONOMYCIN |
CHEMBL501617 |
Ionomycin |
709.02 |
|
2 |
False
|
22 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
56092-81-0 |
View |
|
IPILIMUMAB |
CHEMBL1789844 |
BMS734016, BMS-734016, IPILIMUMAB, MDX010, MDX-010, MDX-010 MDX-CTLA4, MDX-101, MDX-CTLA-4, YERVOY |
|
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
IPRONIAZID |
CHEMBL92401 |
Iproniazid, SID11111334, SID50111104, Iproniazide, SID11111333, SID90341605 |
179.22 |
0.41 |
0 |
True
|
3 |
11.28 |
3.62 |
0.41 |
True |
|
|
|
|
|
|
|
|
View |
|
IPRONIAZID PHOSPHATE |
CHEMBL1256361 |
Iproniazid Phosphate |
277.22 |
|
0 |
False
|
3 |
|
|
|
True |
|
|
|
|
|
|
ScreenWell |
305-33-9 |
View |
|
IRBESARTAN |
CHEMBL1513 |
APROVEL, Avapro, BMS-186295, IFIRMASTA, IRBESARTAN, KARVEA, SABERVEL, SR 47436, SR-47436, Irbesartan |
428.54 |
|
0 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
138402-11-6 |
View |
|
IRINOTECAN |
CHEMBL481 |
Camptosar, IRINOTECAN, Irinotecan |
586.68 |
4.74 |
1 |
False
|
5 |
9.48 |
7.27 |
4.66 |
False |
|
|
|
|
|
|
|
|
View |
|
ISAXONINE |
CHEMBL1740513 |
Isaxonine |
137.18 |
2.74 |
0 |
True
|
2 |
9.64 |
3.06 |
2.73 |
True |
|
|
|
|
|
|
|
|
View |
|
ISOBUTYLMETHYLXANTHINE |
CHEMBL275084 |
2-Acetoxy-Benzoic Acid, 3-Isobutyl-Methylxanthine, IMBX |
222.25 |
1.1 |
0 |
False
|
2 |
8.61 |
1.49 |
1.07 |
False |
|
|
|
|
|
|
|
|
View |
|
ISOFLURANE |
CHEMBL1256 |
Aerrane, Compound 469, Isoflurane, SID50125772, Forane |
184.49 |
2.12 |
0 |
True
|
3 |
|
|
2.12 |
True |
|
|
|
|
|
|
|
|
View |
|
ISONIAZID |
CHEMBL64 |
SID26746988, SID121269825, Dow-Isoniazid, Nydrazid, SID49718175, Isonicotinylhydrazine, Laniazid, Rimifon, SID11112128, SID26751504, Hyzyd, Isoniazid, SID17389848, SID124881933, Stanozide, INH, SID855769, Isoniazide |
137.14 |
-0.77 |
0 |
True
|
1 |
11.4 |
3.79 |
-0.77 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
ISOPROTERENOL |
CHEMBL434 |
SID90340610, SID144203723, SID104171176, SID50104946, Isoproterenol, SID26752240, SID50111114 |
211.26 |
0.32 |
0 |
True
|
4 |
9.6 |
9.26 |
-1.55 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
ISOSORBIDE |
CHEMBL1200660 |
AT-101, Ismotic, ISOSORBIDE, NSC-40725, Isosorbide |
146.14 |
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0 |
True
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0 |
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False |
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O'Brien |
652-67-5 |
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ISOSTEARIC ACID |
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16-methylheptadecanoic acid, Isooctadecanoic acid, Prisorine 3509 |
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False
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False |
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ISOTRETINOIN |
CHEMBL547 |
Ro-43780, Absorica, Isotretinoin, SID90341473, Accutane, Myorisan, SID47193696, SID50106981, Sotret, 13 Cis-Retinoic Acid, Claravis, Amnesteem |
300.44 |
6.26 |
1 |
True
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5 |
4.76 |
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3.66 |
False |
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O'Brien |
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Isotype-ADC |
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False
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False |
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ISOXICAM |
CHEMBL53292 |
ISOXICAM, Maxicam, W 8495, Isoxicam |
335.34 |
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0 |
True
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2 |
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False |
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O'Brien |
34552-84-6 |
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ITRACONAZOLE |
CHEMBL22587 |
ITRACONAZOLE, Itraconazole, ONMEL, R 51,211, R-51211, SPORANOX, Sporanos, Sporanox |
705.63 |
5.0 |
2 |
False
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11 |
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6.47 |
4.93 |
False |
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O'Brien, ScreenWell |
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IVACAFTOR |
CHEMBL2010601 |
Kalydeco, Ivacaftor, VX-770, SID124950685 |
392.49 |
-0.1 |
0 |
True
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4 |
13.22 |
1.64 |
-0.1 |
False |
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IVERMECTIN |
CHEMBL1200633 |
Cardomec, CD5024, CD-5024, Eqvalan, Heartguard, IVERMECTIN, IVERMECTIN COMPONENT B1A, Ivomec, L 640471, L-640471, Mectizan, MK 933, MK-933, SKLICE, SOOLANTRA, STROMECTOL |
1736.18 |
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True
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False |
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IXABEPILONE |
CHEMBL1201752 |
Ixabepilone, BMS-247550-01, Ixempra, Ixempra Kit |
506.7 |
2.71 |
1 |
True
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2 |
13.73 |
2.76 |
2.71 |
False |
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K-252A |
CHEMBL281948 |
K-252A |
467.47 |
5.51 |
0 |
False
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2 |
11.95 |
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5.51 |
False |
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KAINIC ACID |
CHEMBL275040 |
SID26751654, SID144204456, SID26751655, Kainic Acid |
213.23 |
0.64 |
0 |
True
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4 |
2.03 |
10.7 |
-2.86 |
False |
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KANAMYCIN |
CHEMBL266589 |
Kanamycin |
484.5 |
6.15 |
2 |
False
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6 |
13.58 |
8.37 |
5.56 |
False |
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O'Brien |
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(+/-)-Kavain |
CHEMBL1482039 |
(+/-)-Kavain |
230.26 |
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0 |
False
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3 |
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True |
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KETOCONAZOLE |
CHEMBL295698 |
Xolegel, SID50104730, SID11112822, SID90341325, Extina, Ketoconazole, Ketosidin, SID50104728, SID26719656, SID124882654, Nizoral A-D, SID11113916, Ketozole, SID50104729, SID124882653, SID11533029, SID26752071, SID11111347, SID26752070, R-41400, SID85267857, Nizoral, Panfungol, SID56422892, SID50104731 |
531.43 |
4.04 |
1 |
True
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7 |
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6.88 |
3.93 |
False |
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O'Brien, ScreenWell |
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View |
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KETOPROFEN |
CHEMBL571 |
ACTRON, KETOPROFEN, Ketoprofen, NEXCEDE, ORUDIS, ORUVAIL, Orudis kt, R.P. 19,583, RP-19583 |
254.28 |
2.91 |
0 |
True
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4 |
4.23 |
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-0.16 |
False |
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O'Brien, ScreenWell |
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KETOROLAC |
CHEMBL469 |
Ketorolac, KETOROLAC |
255.27 |
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0 |
True
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3 |
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True |
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O'Brien |
74103-06-3 |
View |
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KETOTIFEN |
CHEMBL534 |
Ketotifen, KETOTIFEN, (R)-Ketotifen |
309.43 |
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0 |
True
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0 |
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False |
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O'Brien |
34580-13-7 |
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KGN |
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False
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False |
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KO143 |
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Ko-143 hydrate, (3S,6S,12aS)-1,2,3,4,6,7,12,12a-Octahydro-9-methoxy-6-( 2-methylpropyl)-1,4-dioxopyrazino[1′,2′:1,6]pyrido[3,4- b]indole-3-propanoic acid 1,1-dimethylethyl ester hydrate |
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False
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False |
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461054-93-3 |
View |
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LABETALOL |
CHEMBL429 |
AH-5158A FREE BASE, Labetalol, LABETALOL, Normodyne, Normozide, SCH-15719W FREE BASE, Trandate |
328.41 |
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0 |
True
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8 |
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False |
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O'Brien |
36894-69-6 |
View |
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LACTIC ACID |
CHEMBL1200559 |
DL- LACTIC ACID, DL-LACTIC ACID, E270, E 270, E-270, FEMA NO. 2611, HIPURE 88, INS-270, INS NO.270, LACTIC ACID, NSC-367919, PURAC FCC 80, PURAC FCC 88, DL-Lactic Acid |
90.08 |
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0 |
True
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1 |
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True |
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ScreenWell |
50-21-5 |
View |
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LACTOSE, ANHYDROUS |
CHEMBL417016 |
ANHYDROUS LACTOSE, LACTOSE, LACTOSE ANHYDROUS, LACTOSE, ANHYDROUS, Lactose |
342.3 |
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2 |
True
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4 |
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False |
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O'Brien |
134678-17-4 |
View |
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LAMIVUDINE |
CHEMBL141 |
BCH 189, (-)-, Epivir, EPIVIR-HBV, GR 109714X, GR-109714X, LAMIVUDINE, ZEFFIX, Lamivudine |
229.26 |
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0 |
True
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2 |
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False |
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O'Brien, ScreenWell |
134678-17-4 |
View |
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LAMOTRIGINE |
CHEMBL741 |
BW-430C, SID50104089, Lamictal, Lamictal Odt, Lamictal Xr, Lamotrigine, SID11113342, SID26719658, Lamictal Cd |
256.09 |
1.24 |
0 |
True
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1 |
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5.39 |
1.24 |
False |
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View |
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LAPATINIB |
CHEMBL554 |
GW-2016, GW-572016, LAPATINIB, Lapatinib |
581.06 |
6.3 |
2 |
False
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11 |
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6.34 |
6.26 |
False |
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L-ARGININE |
CHEMBL1485 |
SID50104526, Arginine, SID11113629, SID90341198, R-Gene, SID11110746 |
174.2 |
-1.65 |
0 |
True
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6 |
2.49 |
13.58 |
-5.12 |
False |
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View |
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LCQ908 |
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False
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False |
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LEAD (II) ACETATE |
CHEMBL1909062 |
Lead diacetate, Lead(II) acetate, Lead(2+) acetate, lead(2+) diacetate, Unichem PBA, Lead di(acetate), Normal lead acetate, Dibasic lead acetate, Lead dibasic acetate, Bleiacetat [German], Plumbous acetate, Salt of saturn, Sugar of lead, Caswell No. 523A, Acetic acid lead salt, Lead acetate (anhydrous), Acetate de plomb [French], Lead acetate (Pb(Ac)2), RCRA waste no. U144, RCRA waste number U144, Acetic acid lead(2+) salt, CCRIS 356, UNII-KL498O6790, HSDB 1404, 301-04-2, EINECS 206-104-4, EINECS 239-379-4, Acetic acid lead(2+) salt, NSC 75797, UN1616, Acetate de plomb, 15347-57-6, Bleiacetat, Leafacetate, Neutral lead acetate, normal lead acetate, AC1L1SSS, lead(II)salt acetic acid, LEAD (II) ACETATE, SCHEMBL56749, SCHEMBL308014, LEAD ACETATE ANHYDROUS, DTXSID6020773, CTK4C7862, AR-1L1311, DNC000867, KL498O6790, LS-1149, LS-2118, RL03052, IN004848, IN012041, 17856-14-3, 37280-55-0 |
325.29 |
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False
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False |
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LEFLUNOMIDE |
CHEMBL960 |
Arava, HWA-486, L04AA13, LEFLUNOMIDE, SU101, SU-101, SULOL, Leflunomide |
270.21 |
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0 |
True
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2 |
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False |
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O'Brien, ScreenWell |
75706-12-6 |
View |
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LETROZOLE |
CHEMBL1444 |
SID124882709, Femara, CGS-20267, Letrozole, SID11112889 |
285.3 |
0.43 |
0 |
True
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3 |
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1.52 |
0.43 |
False |
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ScreenWell |
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View |
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LEVODOPA |
CHEMBL1009 |
levodopa, L-dopa, Dopar, 3,4-dihydroxy-L-phenylalanine, 59-92-7, 3-Hydroxy-L-tyrosine, Bendopa, Dopasol, Larodopa, Levopa, Cidandopa, Dopaidan, Dopalina, Insulamina, Maipedopa, Eldopal, Eldopar, Pardopa, Prodopa, Syndopa, Helfo-Dopa, Dopaflex, Dopaston, Doparl, (-)-Dopa, Dihydroxy-L-phenylalanine, 3-(3,4-Dihydroxyphenyl)-L-alanine, 3,4-Dihydroxyphenylalanine, Brocadopa, Doparkine, Dopastral, Eldopatec, Eurodopa, Levedopa, Deadopa, Doprin, Veldopa, Dopal-fher, Ledopa, Dopal, Weldopa, Parda, L-o-Hydroxytyrosine, Dopa, 3,4-Dihydroxyphenyl-L-alanine, (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid, L-Dihydroxyphenylalanine, Laradopa, Levodopum, (-)-3-(3,4-Dihydroxyphenyl)-L-alanine, L-3-Hydroxytyrosine, L-Tyrosine 3-hydroxy-, L-(-)-Dopa, Dopaston SE, L-(o-Dihydroxyphenyl)alanine, L-3,4-Dihydroxyphenylalanine, L-beta-(3,4-Dihydroxyphenyl)alanine, Biodopa, Cerepap, Sobiodopa, beta-(3,4-Dihydroxyphenyl)-L-alanine, beta-(3,4-Dihydroxyphenyl)alanine, L-3-(3,4-Dihydroxyphenyl)alanine, Helfo DOPA, L Dopa, Ro 4-6316, component of Sinemet, Dopar (TN), Tyrosine 3-hydroxy-, Dopastone, Dopicar, Levodopum [INN-Latin], CHEBI:15765, L(-)-Dopa, IV Levodopa, L-O-Dihydroxyphenylalanine, alanine 3-(3,4-dihydroxyphenyl)-, L-, (-)-(3,4-Dihydroxyphenyl)alanine, beta-(3,4-Dihydroxyphenyl)-alpha-L-alanine, L-beta-(3,4-Dihydroxyphenyl)-alpha-alanine, CHEMBL1009, Prestwick_185, CCRIS 3766, L-.beta.-(3,4-Dihydroxyphenyl)alanine, .beta.-(3,4-Dihydroxyphenyl)-L-alanine, S1726_Selleck, HSDB 3348, Spectrum_000454, UNII-46627O600J, 3,4-Dihydroxyphenylalanine (VAN), Alanine 3-(3,4-dihydroxyphenyl)-, (-)-, AC1L1LOR, Prestwick0_000017, Prestwick1_000017, Prestwick2_000017, Prestwick3_000017, Spectrum2_000496, Spectrum4_000539, Spectrum5_001899, EINECS 200-445-2, Lopac-D-9628, dihydroxyphenylalanine, Levodopa (JP15/USP), NSC118381, bmse000322, NSC 118381, AC1Q4U7F, (S)-2-amino-3-(3,4-dihydroxyphenyl)propanoic acid, CAS-59-92-7, 3 4-Dihydroxyphenylalanine, Lopac0_000454, BSPBio_000053, BSPBio_002354, KBioGR_001177, KBioSS_000934, L-4-5-Dihydroxyphenylalanine, beta-(3,4-Dihydroxyphenyl)-alpha-alanine, BIDD:GT0158, Bio-0575, D9628_SIGMA, DivK1c_000452, SPBio_000391, SPBio_001974, SPECTRUM2300205, MLS000028514, BPBio1_000059, b-(3,4-Dihydroxyphenyl)alanine, 3 4-Dihydroxy-L-phenylalanine, 37830_FLUKA, HMS501G14, KBio1_000452, KBio2_000934, KBio2_003502, KBio2_006070, L-(3,4-Dihydroxyphenyl)alanine, Levodopa [USAN:INN:BAN:JAN], NINDS_000452, L-(3 4-Dihydroxyphenyl)alanine, WTDRDQBEARUVNC-LURJTMIESA-N, HMS1568C15, HMS1922J14, HMS2090O08, HMS2093N04, b-(3,4-Dihydroxyphenyl)-L-alanine, L-3-(3,4-dihydroxyphenyl)-Alanine, Alanine 3-(3,4-dihydroxyphenyl)-, LS-255, MFCD00002598, PDSP1_001541, PDSP2_001525, .beta.-(3,4-Dihydroxyphenyl)alanine, C9H11NO4, b-(3,4-Dihydroxyphenyl)-a-L-alanine, L-b-(3,4-Dihydroxyphenyl)-a-alanine, .beta.-(3 4-Dihydroxyphenyl)alanine, DB01235, SDCCGMLS-0066924.P001, IDI1_000452, NCGC00015384-01, NCGC00016270-01, NCGC00016270-04, NCGC00016270-06, NCGC00093869-04, SMR000058312, L-(3,4-Dihydroxyphenyl)-.alpha.-alanine, D0600, D9628, EU-0100454, Alanine 3-(3, 4-dihydroxyphenyl)-, (-)-, C00355, D 9628, D00059, (2S)-2-amino-3-(3,4-dihydroxyphenyl)propanoate, 587-45-1, DAH, 1E83F927-C221-46AA-B90A-81B33C5F3868, 23734-74-9, 25525-15-9, 34241-25-3, 72572-99-7, 72573-00-3, 88250-23-1, 90638-38-3, L-DOPA Parcopa, Atamet, Stalevo, Madopar, Prolopa, Dopar, 3,4-Dihydroxyphenylalanine, Levodopa, L-3,4-Dihydrophenylalanine, WLN: QVYZ1R CQ DQ, Sinemetreg, Bidopal, CID6047, l)-L-alanine, L-DOPA; Levodopa, Madopa (Salt/Mix), nchembio.89-comp9, 3-(3,4-Dihydroxypheny, DSSTox_CID_3209, Epitope ID:150927, Alanine,4-dihydroxyphenyl)-, DSSTox_RID_76926, DSSTox_GSID_23209, SCHEMBL22655, L-Dopa L-3-Hydroxytyrosine, Levodopa (JP15/USP/INN), Levodopa (JP17/USP/INN), nchembio.2007.55-comp26, GTPL3639, (S)-3,4-dihydroxyphenylalanine, DTXSID9023209, WLN: QVYZ1R CQ DQ -L, CTK1H2187, HMDB00181, Alanine,4-dihydroxyphenyl)- L-, HMS2095C15, HMS2230B04, HMS3261K10, Pharmakon1600-0230020 |
197.19 |
-1.15 |
0 |
False
|
3 |
2.24 |
8.85 |
-3.67 |
False |
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LEVOFLOXACIN |
CHEMBL33 |
Levofloxacin, Iquix, RWJ-25213, DR-3355, Levaquin, Quixin, SID49665952, Floxacin, SID26719895 |
361.37 |
4.34 |
0 |
True
|
2 |
9.48 |
4.99 |
4.34 |
False |
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LEVOTHYROXINE |
CHEMBL1624 |
L-thyroxine, levothyroxine, thyroxine, 51-48-9, synthroid, thyroxin, Thyrax, Tetraiodothyronine, Thyreoideum, Thyroxinal, Thyroxine iodine, 3,3',5,5'-Tetraiodo-L-thyronine, Levoxyl, Levothyroxine sodium, (-)-Thyroxine, L-Thyroxin, Levothyroxin, levothroid, Thyroxine (l), Laevothyroxinum, L-T4, 3,5,3',5'-Tetraiodo-L-thyronine, DL-Thyroxin, 3,5,3',5'-Tetraiodothyronine, Levothyrox, Tetramet, t4, Thyroxine I 125, L-3,5,3',5'-Tetraiodothyronine, Thryroxine l-, Levo-T, eltroxin, Thyroxine (VAN), Prestwick_548, Euthyrox, Oroxine, Levothyroxinum, Eutirox, Henning, T4 (Hormone), Levothyroxinum (acid), Laevothyroxinum (acid), 3,3',5,5''-Tetraiodo-L-thyronine, CCRIS 6739, CHEBI:18332, HSDB 3108, L-Thryoxin, T4 levothyroxine, 2ceo, 3,5,3'5'-Tetraiodo-L-thyronine, THX, Thyroxine L-, CHEMBL1624, UNII-Q51BO43MG4, NSC 36397, Thyroxine [BAN], O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-L-tyrosine, Thyroxevan, Laevoxin, Levaxin, Levolet, Levothyroxine (BAN), Synthroid sodium, C15H11I4NO4, 3-[4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]-L-alanine, O-(4-Hydroxy-3,5-diidophenyl)-3,5-diiodo-L-tyrosine, Spectrum_001076, 1hk1, 1hk2, 1hk3, 1hk4, 1hk5, 1y0x, SpecPlus_000871, L-Tyrosine O-(4-hydroxy-3,5-diiodophenyl)-3,5-diiodo-, Prestwick0_000403, Prestwick1_000403, Prestwick2_000403, Prestwick3_000403, Spectrum2_000573, Spectrum3_000611, Spectrum4_000128, Spectrum5_001500, EINECS 200-101-1, 4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodo-L-phenylalanine, Thyroxine L- (8CI), AC1L1L7K, Synthroid (*Sodium salt*), BRN 2228515, Levothroid (*Sodium salt*), BIDD:PXR0161, NCGC00164336-01, BSPBio_000326, BSPBio_002142, KBioGR_000516, KBioSS_001556, (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]propanoic acid, DivK1c_006967, T1775_SIGMA, T2376_SIGMA, SPBio_000386, SPBio_002265, SPECTRUM1500774, MLS000028647, BPBio1_000360, 3-(4-(4-Hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl)alanine, beta-((3,5-Diiodo-4-hydroxyphenoxy)-3,5-diiodophenyl)alanine, KBio1_001911, KBio2_001556, KBio2_004124, KBio2_006692, KBio3_001642, O-(4-Hydroxy-3,5-diiodophenyl)-3,5-diiodotyrosine, XUIIKFGFIJCVMT-LBPRGKRZSA-N, HMS1569A08, HMS1921I06, HMS2090P18, HMS2092K12, Levothyroxine Sodium (L-thyroxine), 3,3',5,5"-Tetraiodo-L-thyronine, MFCD00002595, (2S)-2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]propanoic acid, Thyroxine sodium, AC-7504, DB00451, SDCCGMLS-0066571.P001, NCGC00164336-02, NCGC00164336-03, (125I)T4, CPD000059176, SAM002264651, SMR000059176, LS-158291, LT00440967, DSSTox_CID_3214, C01829, D08125, T-3850, DSSTox_RID_76927, DSSTox_GSID_23214, BRD-K30685142-001-05-5, UNII-7U4LEE5872, 7U4LEE5872, 2-amino-3-[4-(4-hydroxy-3,5-diiodo-phenoxy)-3,5-diiodo-phenyl]-propanoic acid, 24486-40-6, 587-29-1, 587-30-4, 7200-84-2, 74-16-8, T44, 55-03-8, Eltroxinreg, Letrox, CID5819, CAS-51-48-9, levothyroxin natrium, Eltroxin Tab 50mcg, Eltroxin 150 Tab, Levothyroxine [INN], Eltroxin Tab 100mcg, Eltroxin Tab 200mcg, Eltroxin Tab 300mcg, L-Thyroxine free acid, Levo-T 25mcg - Tab, Levo-T 50mcg - Tab, Levo-T 75mcg - Tab, Synthroid Tab 25mcg USP, Synthroid Tab 50mcg USP, Synthroid Tab 75mcg USP, Synthroid Tab 88mcg USP, bmse000923, Epitope ID:123889, Levo-T 100mcg - Tab, Levo-T 125mcg - Tab, Levo-T 150mcg - Tab, Levo-T 200mcg - Tab, Levo-T 300mcg - Tab, Synthroid Tab 300mcg Tab, Levotec 25mcg Tablets USP, Levotec 50mcg Tablets USP, Levotec 75mcg Tablets USP, Synthroid Tab 100mcg USP, Synthroid Tab 112mcg USP, Synthroid Tab 125mcg USP, Synthroid Tab 150mcg USP, Synthroid Tab 175mcg USP, Synthroid Tab 200mcg USP, SCHEMBL23098, Levotec 100mcg Tablets USP, Levotec 112mcg Tablets USP, Levotec 125mcg Tablets USP, Levotec 150mcg Tablets USP, Levotec 175mcg Tablets USP, Levotec 200mcg Tablets USP, Levotec 300mcg Tablets USP, MLS002548901, GTPL2635, Q51BO43MG4, DTXSID8023214, CTK2H7538, HMDB00248, Levothyroxine Sodium for Injection, HMS2096A08, HMS2233J18, HMS3259M11, Pharmakon1600-01500774, ZINC3830993, PMS-levothyroxine Sodium Tab 25mcg, PMS-levothyroxine Sodium Tab 50mcg |
776.87 |
0.11 |
1 |
False
|
5 |
3.56 |
13.34 |
-2.61 |
False |
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LIDOCAINE |
CHEMBL79 |
Xylocaine, Lignocaine Hcl, Anestacon, SID56422194, Iontocaine, Octocaine, SID26751484, Alphacaine, Lidopen, SID104171182, SID11111385, SID855682, Lignocaine, SID26751483, Dentipatch, Embolex, Lidocaton, Lidoderm, Lidocaine, Terramycin, Lignostab, LMX, SID90340642, SID11111384 |
234.34 |
2.2 |
0 |
True
|
5 |
|
7.96 |
1.67 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
LINDANE |
CHEMBL15891 |
Gamene, Gammallin, Hexachlorane, Lindane, Quellada, gamma-Hexachlorocyclohexane, Gammaxene, Hexicide, Gamma Benzene HCl, Scabene, Gexane, Benzene Hexachloride, Gamma, Kwell |
290.83 |
3.82 |
0 |
True
|
0 |
|
|
3.82 |
False |
|
|
|
|
|
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|
View |
|
LINOLEIC ACID |
CHEMBL267476 |
OCTADECA-9,12-DIENOIC ACID |
280.45 |
7.02 |
1 |
False
|
14 |
4.78 |
|
4.42 |
False |
|
|
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View |
|
LINSITINIB |
CHEMBL1091644 |
ASP-7487, LINSITINIB, OSI-906, OSI-906AA |
421.49 |
3.88 |
0 |
True
|
3 |
|
6.53 |
3.86 |
False |
|
|
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View |
|
LIPOPOLYSACCHARIDE |
|
LPS, Lipopolysaccharide, NCGC00188939-01, 127382-EP2295402A2 |
4899.956 |
|
|
False
|
|
|
|
|
False |
|
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View |
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LIPOPOLYSACCHARIDE E. COLI O55:B5 |
CHEMBL1909064 |
|
|
|
|
False
|
|
|
|
|
False |
|
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View |
|
LISINOPRIL |
CHEMBL1237 |
LISINOPRIL, MK-521, Lisinopril Dihydrate |
405.49 |
3.47 |
0 |
True
|
12 |
2.18 |
10.5 |
0.48 |
False |
|
|
|
|
|
|
ScreenWell |
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View |
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LITHOCHOLIC ACID |
CHEMBL1478 |
Lithocholate, Lithocholic Acid, Litocholic Acid, Lithocholic acid |
376.58 |
|
1 |
False
|
4 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
434-13-9 |
View |
|
L-NAME |
CHEMBL7890 |
L-NAME, L-nitro-arginine-methyl ester |
233.23 |
|
0 |
False
|
6 |
|
|
|
False |
|
|
|
|
|
|
|
50903-99-6 |
View |
|
LOPERAMIDE |
CHEMBL841 |
Imodium, LOPERAMIDE, Loperamide |
477.04 |
1.78 |
0 |
False
|
7 |
|
7.79 |
1.34 |
False |
|
|
|
|
|
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View |
|
LOSARTAN |
CHEMBL191 |
HGP1405, HGP-1405, Losartan, LOSARTAN |
422.92 |
|
0 |
True
|
8 |
|
|
|
False |
|
|
|
|
|
|
|
114798-26-4 |
View |
|
LOSARTAN POTASSIUM |
CHEMBL995 |
Cozaar, DUP 753, DUP-753, DU PONT-753, E-3340, Hyzaar, L-158086, LOSAPREX, LOSARTAN MONOPOTASSIUM SALT, LOSARTAN POTASSIUM, MK0954, MK-0954, Losartan potassium |
461.01 |
|
0 |
True
|
8 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
124750-99-8 |
View |
|
LOVASTATIN |
CHEMBL503 |
SID17389841, SID26751557, Altoprev, SID49732779, SID855905, Lovastatin, SID496591, MK-803, Mevacor, Mevinolin, SID144204439 |
404.54 |
4.31 |
0 |
True
|
7 |
13.49 |
|
4.31 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
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View |
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L-PHENYLALANINE |
CHEMBL301523 |
L-Phenylalanine, L-phenylalanine, Phenylalanine, SID26753740, SID124877010, SID4252550, PHENYLALANINE |
165.19 |
0.24 |
0 |
True
|
3 |
2.21 |
9.2 |
-2.27 |
False |
|
|
|
|
|
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View |
|
MALATHION |
CHEMBL1200468 |
SID26753131, Malathion, SID50105655, Organoderm, Prioderm, Ovide, Cythion |
330.36 |
2.38 |
0 |
True
|
11 |
|
|
2.38 |
False |
|
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View |
|
MALEIC ACID |
CHEMBL539648 |
maleic acid, cis-butenedioic acid, Toxilic acid, 110-16-7, Maleinic acid, Malenic acid, maleate, (Z)-Butenedioic acid, 2-Butenedioic acid (Z)-, Kyselina maleinova, (2Z)-but-2-enedioic acid, cis-1,2-Ethylenedicarboxylic acid, (Z)-2-Butenedioic acid, 2-Butenedioic acid (2Z)-, 2-Butenedioic acid, cis-2-Butenedioic acid, Malezid CM, Butenedioic acid, (Z)-, 2-Butenedioic acid, (Z)-, Cis-butenedioate, 2-Butenedioate, (z)-butenedioate, H2male, 1,2-Ethylenedicarboxylic acid, (Z), cis-2-Butenedioate, cis-but-2-enedioate, Scotchbond Multipurpose Etchant, Sodium maleate, CCRIS 1115, HSDB 666, (2Z)-2-Butenedioate, cis-but-2-enedioic acid, (2Z)-but-2-enedioate, (2Z)-Butene-2-dioate, But-2-enedioic acid, (2Z)-2-Butenedioic acid, Kyselina maleinova [Czech], Maleic acid [NA2215], (Z)-2-Butenedioate, (2Z)-Butene-2-dioic acid, UNII-91XW058U2C, AI3-01002, CHEBI:18300, VZCYOOQTPOCHFL-UPHRSURJSA-N, EINECS 203-742-5, Maleic acid [NA2215] [Corrosive], MFCD00063177, NA2215, NSC 25940, SBB040567, MAE, BRN 0605762, DSSTox_CID_1517, (2Z)but-2-enedioic acid, (Z)-but-2-enedioic acid, DSSTox_RID_76194, DSSTox_GSID_21517, CAS-110-16-7, C4H4O4, Acidum maleicum, 1ahy, 1tok, L-Maleic Acid, NCGC00091192-02, bis-hydrogen maleate, MALEICACID, Maleic acid (8CI), PubChem21784, Butenedioic acid,(Z)-, SCHEMBL613, bmse000212, WLN: QV1U1VQ-C, AC1L9G1A, MLS002153468, 2-butenedioic acid, (2Z)-, (2Z)-2-Butenedioic acid #, AC1Q71E5, CHEMBL539648, M0375_SIAL, DTXSID8021517, 63189_FLUKA, HMDB00176, InChI=1/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1, 91XW058U2C, HMS2236F09, cis-Butenedioic acid; Toxilic acid, 2-Butenedioic acid (Z)- (9CI), 6915-18-0, NSC25940, STR03481, 10237-70-4 (potassium salt), Tox21_113105, Tox21_202193, Tox21_303045, 1,2-Ethylenedicarboxylic acid, cis-, 2-Butenedioic acid (2Z)- (9CI), 37449-49-3 (Nd salt), LS-499, NSC-25940, ZINC12358683, 371-47-1 (di-hydrochloride salt), 18016-19-8 (hydrochloride salt), AKOS000268822, Tox21_113105_1, 44742-89-4 (mono-ammonium salt), Maleic acid [NA2215] [Corrosive], RP19212, 3105-55-3 (mono-hydrochloride salt), Maleic anhydride, mono(castor oil) ester, NCGC00090970-01, NCGC00090970-02, NCGC00090970-03, NCGC00257215-01, NCGC00259742-01, 4CN-0931, AK109350, AN-22588, BT000111, KB-53311, OR036502, OR180703, OR194615, OR271441, SMR001230824, AB1009478, 102-EP2269610A2, 102-EP2269983A1, 102-EP2269984A1, 102-EP2269988A2, 102-EP2269989A1, 102-EP2269990A1, 102-EP2270002A1, 102-EP2270003A1, 102-EP2270006A1, 102-EP2270008A1, 102-EP2270011A1, 102-EP2270505A1, 102-EP2272537A2, 102-EP2272822A1, 102-EP2272827A1, 102-EP2272834A1, 102-EP2272849A1, 102-EP2275401A1, 102-EP2275411A2, 102-EP2275412A1, 102-EP2275413A1, 102-EP2275414A1, 102-EP2277507A1, 102-EP2277848A1, 102-EP2277858A1, 102-EP2277866A1, 102-EP2277867A2, 102-EP2280003A2, 102-EP2280006A1, 102-EP2280009A1, 102-EP2280010A2, 102-EP2280012A2, 102-EP2281559A1, 102-EP2281563A1, 102-EP2281819A1, 102-EP2281823A2, 102-EP2284149A1, 102-EP2284160A1, 102-EP2284169A1, 102-EP2284178A2, 102-EP2284179A2, 102-EP2286795A1, 102-EP2287147A2, 102-EP2287153A1, 102-EP2287155A1, 102-EP2287156A1, 102-EP2287160A1, 102-EP2287161A1, 102-EP2287162A1, 102-EP2289510A1, 102-EP2289518A1, 102-EP2289879A1, 102-EP2289883A1, 102-EP2289890A1, 102-EP2289894A2, 102-EP2292227A2, 102-EP2292228A1, 102-EP2292231A1, 102-EP2292234A1, 102-EP2292592A1, 102-EP2292611A1, 102-EP2292615A1, 102-EP2292617A1, 102-EP2292619A1, 102-EP2295401A2, 102-EP2295402A2, 102-EP2295406A1, 102-EP2295415A1, 102-EP2295416A2, 102-EP2295418A1, 102-EP2295424A1, 102-EP2295426A1, 102-EP2295427A1, 102-EP2295433A2, 102-EP2295437A1, 102-EP2298731A1, 102-EP2298734A2, 102-EP2298735A1, 102-EP2298746A1, 102-EP2298747A1, 102-EP2298748A2, 102-EP2298755A1, 102-EP2298757A2, 102-EP2298758A1, 102-EP2298759A1, 102-EP2298767A1, 102-EP2298772A1, 102-EP2298775A1, 102-EP2298779A1, 102-EP2301544A1, 102-EP2301922A1, 102-EP2301923A1, 102-EP2301924A1, 102-EP2301928A1, 102-EP2301929A1, 102-EP2301931A1, 102-EP2301933A1, 102-EP2301935A1, 102-EP2301937A1, 102-EP230194 |
116.07 |
-0.45 |
0 |
False
|
2 |
2.39 |
|
-5.16 |
False |
|
|
|
|
|
|
|
|
View |
|
MALONIC ACID |
CHEMBL7942 |
Malonic Acid |
104.06 |
|
0 |
False
|
2 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
141-82-2 |
View |
|
MANEB |
CHEMBL491517 |
SID26757119, SID26757120 |
265.3 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
MCI-186 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
MEBANAZINE |
CHEMBL1909283 |
Mebanazine |
136.19 |
2.08 |
0 |
True
|
2 |
3.94 |
6.69 |
-0.73 |
True |
|
|
|
|
|
|
|
|
View |
|
MEFENAMIC ACID |
CHEMBL686 |
CI-473, CN-35355, CONTRAFLAM, DYSMAN-250, DYSMAN-500, INF-3355, J2.344B, M01AG01, MEFENAMIC ACID, MEFLAM 250, MEFLAM 500, MENDYS, NSC-94437, OPUSTAN 250, OPUSTAN 500, PONSTAN, PONSTAN FTE, Ponstel, Mefenamic acid |
241.29 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
61-68-7 |
View |
|
MELOXICAM |
CHEMBL599 |
ANJESO, MELOXICAM, Mobic, N1539, N-1539, QMIIZ ODT, UH-AC 62XX, UH-AC-62 XX, UHAC-62XX, VIVLODEX, Meloxicam |
351.41 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
71125-38-7 |
View |
|
MEMANTINE |
CHEMBL807 |
D-145, DRG-0267, Memantine, MEMANTINE, Namenda |
179.31 |
|
0 |
True
|
0 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
19982-08-2 |
View |
|
MENADIONE |
CHEMBL590 |
Klotogen, SID11532917, Vitamin K 3, SID70547, SID144203885, Menadione, SID56422378, Hykinone, SID104171275, Kayquinone, Menaphthene, Menaphthone, SID11112142, SID26748651, Kappaxin |
172.18 |
1.99 |
0 |
True
|
0 |
|
|
1.99 |
True |
|
|
|
|
|
|
O'Brien |
|
View |
|
MEQUINOL |
CHEMBL544 |
4HA, 4-HYDROXYANISOLE, 4-METHOXYPHENOL, BMS-181158, HQMME; HYDROXYQUINONE METHYL ETHER, LEUCOBASAL, LEUCODINE B, MECHINOLUM, MENTHYL ANTHRANILATE, MEQUINOL, NOVO-DERMOQUINONA, P-GUAIACOL, P-HYDROXYANISOLE, Methoxyphenol, Mequinol |
124.14 |
|
0 |
True
|
1 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
150-76-5 |
View |
|
MERCAPTOPURINE |
CHEMBL1425 |
MERCAPTOPURINE, Mercaptopurine anhydrous, Purinethol |
152.18 |
|
0 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
50-44-2 |
View |
|
MESALAMINE |
CHEMBL704 |
APRISO, Asacol, ASACOL HD, Canasa, COLTEC EC, DELZICOL, FISALAMINE, IPOCOL, LIALDA, MAX-002, MESALAMINE, MESALAZINE, MESALAZINE , MESREN MR, MEZAVANT XL, NSC-38877, OCTASA, Pentasa, PENTASA SR, Rowasa, SALOFALK, SFROWASA, Mesalamine |
153.14 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
89-57-6 |
View |
|
METACETAMOL |
CHEMBL9419 |
BS 749, Metacetamol, METACETAMOL, 3-Acetamidophenol |
151.16 |
|
0 |
True
|
1 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
621-42-1 |
View |
|
METACRESOL |
CHEMBL298312 |
METACRESOL, m-Cresol, metacresol |
108.14 |
|
0 |
False
|
0 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
17692-51-2 |
View |
|
METFORMIN |
CHEMBL1431 |
LA-6023, METFORMIN, Metformin, MetforminHCl |
129.16 |
-1.25 |
0 |
True
|
3 |
|
12.25 |
-3.24 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
METHACYCLINE |
CHEMBL249837 |
GS-2876, METACYCLINE, METHACYCLINE, MOTC, Methacycline |
442.42 |
|
1 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
914-00-1 |
View |
|
METHAPYRILENE |
CHEMBL1411979 |
METHAPYRILENE, Methapyrilene |
261.39 |
|
0 |
True
|
6 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
91-80-5 |
View |
|
METHOTREXATE |
CHEMBL34259 |
TCMDC-125858, TCMDC-125488, SID50104778, SID124886991, Trexall, CL-14377, SID90340825, SID11113978, Mexate, SID26752122, SID144204495, Methylaminopterin, SID50104777, SID56463665, SID26752121, Amethopterin, TCMDC-123832, SID67627, SID26752120, Methotrexate, Abitrexate, Folex, Mexate-AQ, Rheumatrex |
454.44 |
-0.45 |
1 |
True
|
9 |
3.47 |
5.55 |
-5.1 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
METHOXYCHLOR |
CHEMBL362919 |
SID144214036, SID17388924 |
345.65 |
5.07 |
0 |
False
|
5 |
|
|
5.07 |
False |
|
|
|
|
|
|
|
|
View |
|
METHYL ALCOHOL |
CHEMBL14688 |
METHYL ALCOHOL |
32.04 |
-0.69 |
0 |
False
|
0 |
|
|
-0.69 |
True |
|
|
|
|
|
|
|
|
View |
|
METHYLDOPA |
CHEMBL459 |
Aldomet, ALPHA-METHYLDOPA, BAYER-1440L, DOPAMET, J9.247I, LEDERDOPA, MEDOMET, METALPHA 250, METALPHA 500, METHYLDOPA, METHYLDOPA HYDRATE, METHYLDOPA (LEVOROTATORY), METHYLDOPA SESQUIHYDRATE, MK-351, NSC-169916, Methyldopa |
211.22 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
555-30-6 |
View |
|
METHYLPREDNISOLONE |
CHEMBL650 |
J3.872E, Medrol, MEDRONE, Methylprednisolone, METHYLPREDNISOLONE, NSC-19987, U-67,590A |
374.48 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
83-43-2 |
View |
|
METHYSTICIN |
CHEMBL579224 |
Methylsticin, Methysticin, (+)-Methysticin |
274.27 |
|
0 |
False
|
3 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
495-85-2 |
View |
|
METOCLOPRAMIDE |
CHEMBL86 |
Clopra, Clopra-"Yellow", Maxolon, Metoclopramide, METOCLOPRAMIDE, Reglan |
299.8 |
|
0 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
364-62-5 |
View |
|
METOPIMAZINE |
CHEMBL398615 |
EXP 999, METOPIMAZINE, Vogalene, Metopimazine |
445.6 |
3.33 |
0 |
False
|
6 |
|
8.4 |
2.4 |
False |
|
|
|
|
|
|
|
|
View |
|
METOPROLOL |
CHEMBL13 |
Toprol-XL, Metoprolol, Lopressor, Lopressidone |
267.36 |
1.63 |
0 |
True
|
9 |
13.89 |
9.43 |
-0.47 |
False |
|
|
|
|
|
Cmax = 0.17 ug/ml |
|
|
View |
|
METOPROLOL TARTRATE |
CHEMBL1256957 |
CGP-2175E, LOPRESSOR, METOPROLOL TARTRATE |
417.45 |
1.63 |
0 |
True
|
9 |
13.89 |
9.43 |
-0.47 |
False |
|
|
|
|
|
|
|
|
View |
|
Metreleptin |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
MEVASTATIN |
CHEMBL54440 |
Mevastatin, MEVASTATIN |
390.52 |
|
0 |
True
|
6 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
73573-88-3 |
View |
|
MIBEFRADIL |
CHEMBL45816 |
MIBEFRADIL, Posicor, POSICOR 100, POSICOR 50, Mibefradil |
495.64 |
|
1 |
True
|
11 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
116644-53-2 |
View |
|
MICONAZOLE |
CHEMBL91 |
Monistat-3, SID443253, Vusion, Micatin, Monistat, Conofite, Oravig, Monistat-Derm, SID144204152, SID85148356, Miconazole, Dermazole |
416.13 |
7.15 |
1 |
True
|
6 |
|
|
7.15 |
False |
|
|
|
|
|
|
|
|
View |
|
MIDAZOLAM |
CHEMBL655 |
MIDAZOLAM, Midazolam, Dormicum, Versed |
325.77 |
3.8 |
0 |
False
|
1 |
|
6.03 |
3.78 |
False |
|
|
|
|
|
|
|
|
View |
|
MIFEPRISTONE |
CHEMBL1276308 |
KORLYM, MIFEGYNE, MIFEPREX, MIFEPRISTONE, RU 38486, RU 486 |
429.6 |
6.19 |
1 |
True
|
2 |
12.94 |
5.49 |
6.19 |
False |
|
|
|
|
|
|
|
|
View |
|
MINOCYCLINE |
CHEMBL1434 |
Minocycline, MINOCYCLINE |
457.48 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
10118-90-8 |
View |
|
MINOCYCLINE HYDROCHLORIDE |
CHEMBL1200881 |
ACNAMINO, AKNEMIN, AKNEMIN 50, AMZEEQ, ARESTIN, BLEMIX 100, BLEMIX 50, CYCLOMIN, DENTOMYCIN, Dynacin, Minocin, MINOCIN 50, MINOCIN MR, MINOCYCLINE HYDROCHLORIDE, MINOGAL, MINOLIRA, NSC-141993, SEBOMIN, SEBREN MR, Solodyn, XIMINO, ZILXI, Minocycline hydrochloride |
493.94 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
13614-98-7 |
View |
|
MIPOMERSEN |
CHEMBL2219536 |
MIPOMERSEN |
7177.25 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
MIREX |
CHEMBL442231 |
Mirex |
545.54 |
7.11 |
2 |
False
|
0 |
|
|
7.11 |
False |
|
|
|
|
|
|
|
|
View |
|
MIRTAZAPINE |
CHEMBL654 |
MIRTAZAPINE, ORG 3770, ORG-3770, Remeron, REMERON SOLTAB, ZISPIN, Mirtazapine |
265.36 |
|
0 |
True
|
0 |
|
|
|
True |
|
|
|
|
|
|
ScreenWell |
85650-52-8 |
View |
|
MITOMYCIN |
CHEMBL105 |
Mitomycin C, SID87663, Mitomycin, Mitosol, NSC-26980, Mitozytrex, SID144205046, Mutamycin, Mytozytrex, SID57260126 |
334.33 |
-0.3 |
0 |
True
|
4 |
13.27 |
5.08 |
-0.3 |
False |
|
|
|
|
|
|
|
|
View |
|
MITOXANTRONE |
CHEMBL58 |
Novantrone, SID85856281, Mitoxantrone HCl, Mitoxantrone, SID92763439, SID90341083 |
444.48 |
1.55 |
1 |
True
|
12 |
7.08 |
9.27 |
-1.58 |
False |
|
|
|
|
|
|
|
|
View |
|
MK-4074 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
MK-571 |
CHEMBL15177 |
L-660711, MK-571 |
515.1 |
|
2 |
False
|
11 |
|
|
|
False |
|
|
|
|
|
|
|
115103-85-0 |
View |
|
MONENSIN |
CHEMBL256105 |
67314, Coban [as sodium salt], E714, Monensin, MONENSIN, Rumensin [as sodium salt] |
670.88 |
|
1 |
True
|
10 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
17090-79-8 |
View |
|
MONO-1-METHYLHEPTYL PHTHALATE (MHP) |
CHEMBL1452262 |
SID26665053 |
278.34 |
4.54 |
0 |
False
|
9 |
3.37 |
|
1.44 |
False |
|
|
|
|
|
|
|
|
View |
|
Mono-(2-ethylhexyl) phthalate |
CHEMBL1867438 |
|
278.35 |
|
0 |
False
|
8 |
|
|
|
False |
|
|
|
|
|
|
|
4376-20-9 |
View |
|
MONO BUTYL PHTHALATE (MBP) |
CHEMBL2447930 |
|
222.24 |
5.17 |
0 |
False
|
6 |
|
|
5.17 |
False |
|
|
|
|
|
|
|
|
View |
|
MONOCROTALINE |
CHEMBL521035 |
Monocrotaline |
325.36 |
|
0 |
False
|
0 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
315-22-0 |
View |
|
Monocyte Chemoattractant Protein 1+2 |
|
MCAF, CCL2, MCP-1, MPC1, CCL8, MCP-2, MCP2 |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
MONOETHANOLAMINE |
CHEMBL104943 |
Ethanolamine, 2-aminoethanol, monoethanolamine, 141-43-5, Aminoethanol, 2-Hydroxyethylamine, colamine, Glycinol, Olamine, Ethylolamine, 2-Amino-1-ethanol, 2-Aminoethyl alcohol, 2-Hydroxyethanamine, 2-Aminoethan-1-ol, beta-Hydroxyethylamine, 1-Amino-2-hydroxyethane, Ethanol, 2-amino-, beta-Aminoethyl alcohol, Aethanolamin, Thiofaco M-50, 2-Ethanolamine, beta-Aminoethanol, beta-ethanolamine, MEA (alcohol), USAF EK-1597, Monoaethanolamin, 2-amino-ethanol, Kolamin [Czech], Aethanolamin [German], Caswell No. 426, Etanolamina [Italian], Kolamin, b-Aminoethanol, b-Ethanolamine, ETA, 2-Aminoaethanol, Monoaethanolamin [German], H-Glycinol, 2-Aminoaethanol [German], 2-Aminoetanolo [Italian], 2-Amino ethanol, Glycinol (monoethanolamine), b-Hydroxyethylamine, UN2491, b-Aminoethyl alcohol, CCRIS 6260, HSDB 531, CHEBI:16000, Envision Conditioner PDD 9020, AI3-24219, MEA-LCI, EPA Pesticide Chemical Code 011601, 2-AMINOETHANOL, ACS, UNII-5KV86114PT, CHEMBL104943, MEA 90, HZAXFHJVJLSVMW-UHFFFAOYSA-N, EINECS 205-483-3, ethanol-amine, MFCD00008183, UN 2491, NCGC00090789-02, Ethanolamine or ethanolamine solutions [UN2491] [Corrosive], EN300-19392, 2-Aminoethanol Reagent ACS Grade, Ethanolamine or ethanolamine solutions [UN2491] [Corrosive], Etanolamina, Ethanolaminl, Olaminl, Monoethanolaminl, 2-Aminoetanolo, mono-ethanolamine, monoethanol amine, 2 -aminoethanol, hydroxy ethylamine, ethanol, 2-amino, 2-hydroxylethylamine, .beta.-Aminoethanol, .beta.-Ethanolamine, 2-Amino-l-Ethanol, Ethanolamine solution, 2-hydroxy-ethylamine, 2-hydroxyethyl amine, 2-hydroxyethyl-amine, ArgoGel™-NH2, 2-amino-ethan-1-ol, Monoethanolamine (NF), ARGOGELTM-NH2, 2-hydroxy-1-ethylamine, ACMC-1ADOH, .beta.-Hydroxyethylamine, ETHANOLAMINE, ACS, NH2CH2CH2OH, .beta.-Aminoethyl alcohol, DSSTox_CID_2000, bmse000276, C2H7NO, Epitope ID:120354, AC1L19TQ, AC1Q54MY, AC1Q54MZ, DSSTox_RID_76452, DSSTox_GSID_22000, Ethanolamine: 2-aminoethanol, KSC174O2L, 15014_ALDRICH, BIDD:ER0367, 15014_RIEDEL, 411000_ALDRICH, 671924_ALDRICH, 672130_ALDRICH, AC1Q54N0, BDBM7973, E0135_SIAL, Aminopolyethylene glycol 10000, Aminopolyethylene glycol 3,000, Aminopolyethylene glycol 5,000, DTXSID6022000, 00278_FLUKA, 02400_FLUKA, 07969_FLUKA, CTK0H4725, HMDB00149, 5KV86114PT, Ethanol, 2-amino- (8CI,9CI), 398136_SIAL, ZINC8214617, Tox21_400020, ANW-20621, AR-1I7688, c0594, GK6948, LS-829, ETHANOLAMINE ACS REAGENT GRADE, Ethanolamine or ethanolamine solutions, AKOS000245055, BBV-138539, DB03994, FCH2254854, MCULE-5175116598, NE10561, RP18260, TRA0066965, ACM32708955, beta-Aminoethyl alcohol beta-Ethanolamine, NCGC00090789-01, NCGC00090789-03, AK-59260, AN-43882, BC202305, BP-21017, BR-59260, CAS-141-43-5, OR000119, OR219030, OR369275, BB0294808, KB-228201, ST2416455, A0297, O-(2-Aminoethyl)polyethylene glycol 10000, O-(2-Aminoethyl)polyethylene glycol 3,000, O-(2-Aminoethyl)polyethylene glycol 5,000, 3319-EP2277622A1, 3319-EP2281816A1, 3319-EP2281818A1, 3319-EP2295426A1, 3319-EP2295427A1, 3319-EP2305642A2, 3319-EP2308510A1, 3319-EP2308562A2, 3319-EP2308828A2, 3319-EP2311815A1, 3319-EP2371809A1, 3319-EP2371811A2, C00189, D05074, 27253-EP2281563A1, 27253-EP2281818A1, 27253-EP2286811A1, 27253-EP2292611A1, 27253-EP2298731A1, 27253-EP2298755A1, 27253-EP2298767A1, 27253-EP2305660A1, 27253-EP2305679A1, 27253-EP2308828A2, 27253-EP2311818A1, 27253-EP2314575A1, 27253-EP2314587A1, 27253-EP2371811A2, 66285-EP2272516A2, 66285-EP2289892A1, 66285-EP2292597A1, 66285-EP2295399A2, 66285-EP2298728A1, 66285-EP2308851A1, 91851-EP2281822A1, 91851-EP2305668A1, 91851-EP2377847A1, InChI=1/C2H7NO/c3-1-2-4/h4H,1-3H, I14-2703, 587CE5AA-008A-469C-AB39-82CC4D0CA779, F2190-0367, 1173022-58-6, 32708-95-5, 9007-33-4, Monoethanolamine |
61.08 |
-1.48 |
0 |
True
|
1 |
12.85 |
9.16 |
-3.77 |
True |
|
|
|
|
|
|
|
|
View |
|
MONTELUKAST |
CHEMBL787 |
MK-476, Singulair, Montelukast, Montelo-10 |
586.18 |
5.74 |
2 |
True
|
12 |
|
7.74 |
5.24 |
False |
|
|
|
|
|
|
|
|
View |
|
MORPHINE |
CHEMBL70 |
Avinza, Depodur, Infumorph, Kadian, MORPHINE, Morphine |
285.34 |
2.22 |
0 |
False
|
0 |
|
8.6 |
1.0 |
False |
|
|
|
|
|
|
|
|
View |
|
MOXIFLOXACIN |
CHEMBL32 |
Moxifloxacin, Avelox, Vigamox |
401.43 |
2.83 |
0 |
True
|
4 |
6.43 |
10.63 |
0.31 |
False |
|
|
|
|
|
|
|
|
View |
|
MOXISYLYTE |
CHEMBL159226 |
Moxisylyte, SID11111465, Acetoxythymoxamine, Thymoxamine, SID11111464, Moxisylyte Hydrochloride, SID90340735 |
279.37 |
3.17 |
0 |
True
|
7 |
|
8.71 |
1.84 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
N-ACETYLASPARTIC ACID |
CHEMBL1162494 |
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
N-acetylcysteine |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
NADOLOL |
CHEMBL649 |
Nadolol, SQ-11725, SID855594, SID56422422, Corgard |
309.4 |
0.56 |
0 |
True
|
6 |
13.91 |
9.54 |
-1.54 |
False |
|
|
|
|
|
|
|
|
View |
|
NALTREXONE |
CHEMBL19019 |
Celupan, EN-1639A, Revia, Naltrexone, EN-1639A [As Hydrochloride], Vivitrol, Trexal, Trexan |
341.4 |
2.05 |
0 |
True
|
2 |
9.17 |
7.5 |
1.6 |
False |
|
|
|
|
|
|
|
|
View |
|
NAPHTHALENE |
CHEMBL16293 |
SID26752807, SID17389811, SID49816690, Naphthalene |
128.17 |
3.36 |
0 |
False
|
0 |
|
|
3.36 |
True |
|
|
|
|
|
|
|
|
View |
|
NAPROXEN |
CHEMBL154 |
ALEVE, ARTHROSIN 250, ARTHROSIN 250 EC, ARTHROSIN 500, ARTHROSIN 500 EC, Aleve, Anaprox, CONDROTEC, EC-NAPROSYN, Equiproxen, FEMINAX ULTRA, GRENOXAL, KENOSYN, LARAFLEX, NAPRATEC OP, NAPROSYN, NAPROSYN 375, NAPROSYN EC, NAPROXEN, NYCOPREN, Naprelan, PRANOXEN CONTINUS, PROSAID, RHEUFLEX 250, RHEUFLEX 500, RIMOXYN, RS-3540, STIRLESCENT, TIMPRON, TIMPRON 250 EC, TIMPRON 500 EC, VALROX, VIMOVO, Naproxen |
230.26 |
2.88 |
0 |
True
|
3 |
4.84 |
|
0.35 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
NAPROXEN SODIUM |
CHEMBL1200806 |
ALEVE, Anaprox, Anaprox DS, NAPRELAN, NAPROXEN SODIUM, RS-3650 |
252.24 |
2.88 |
0 |
True
|
3 |
4.85 |
|
0.35 |
True |
|
|
|
|
|
|
|
|
View |
|
NEFAZODONE |
CHEMBL623 |
Nefazodone, Serzone, SID50111710, SID49666410, Nefadar, Nefazodone Hydrochloride |
470.01 |
4.09 |
0 |
True
|
10 |
|
7.65 |
3.89 |
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
NELARABINE |
CHEMBL1201112 |
506U, ARRANON, ATRIANCE, MAY, NELARABINE, NELZARABINE, Nelzarabine |
297.27 |
-0.26 |
0 |
True
|
3 |
13.07 |
2.97 |
-0.26 |
False |
|
|
|
|
|
|
|
|
View |
|
NEOSTIGMINE |
CHEMBL278020 |
SID11111528, SID90340848, SID26756597, Neostigmine, SID11111527 |
223.29 |
2.87 |
0 |
True
|
3 |
4.81 |
0.87 |
0.97 |
True |
|
|
|
|
|
|
|
|
View |
|
NEVIRAPINE |
CHEMBL57 |
Viramune Xr, SID26719643, Nevirapine, SID865943, Viramune, BIRG-0587, SID49718173, SID17388862 |
266.3 |
2.64 |
0 |
True
|
1 |
12.05 |
4.25 |
2.64 |
False |
|
|
|
|
|
|
ScreenWell |
|
View |
|
NF157 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
Nf-kb ODN |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
NIACIN |
CHEMBL573 |
NIACIN, NIACOR, NIASPAN, NIASPAN TITRATION STARTER PACK, NICANGIN, NICOLAR, NICOTINIC ACID, Niacin, Niacin TD, Niaspan ER, Nicotinate, Simcor, WAMPOCAP |
123.11 |
0.22 |
0 |
True
|
1 |
2.2 |
4.8 |
-2.85 |
True |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
NIALAMIDE |
CHEMBL1256841 |
SID855800, SID90341025, SID50104074, SID11111523, Nialamide, SID144203759, SID11111522, SID56422110, SID85231151 |
298.34 |
0.54 |
0 |
True
|
7 |
11.13 |
3.6 |
0.53 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
NICARDIPINE |
CHEMBL1484 |
Nicardipine, NICARDIPINE |
479.53 |
|
0 |
True
|
9 |
|
|
|
False |
|
|
|
|
|
|
|
55985-32-5 |
View |
|
NICARDIPINE HYDROCHLORIDE |
CHEMBL1200326 |
Cardene, CARDENE SR, NICARDIPINE HYDROCHLORIDE, RS-69216, RS-69216-XX-07-0, RS-69216XX07-0, YC-93, Nicardipine Hydrochloride |
515.99 |
|
0 |
True
|
9 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
54527-84-3 |
View |
|
NICLOSAMIDE |
CHEMBL1448 |
BAY-2353, SID90341111, Niclocide, Nicloside, SID56463356, SID85231153, Ex A Lint, Yomesan, Niclosamide, Lintex |
327.12 |
3.77 |
0 |
True
|
3 |
7.45 |
|
3.53 |
False |
|
|
|
|
|
|
|
|
View |
|
NICOTINE |
CHEMBL3 |
HABITROL, NICABATE, Nicoderm, NICODERM CQ, NICOPASS, NICOPATCH, NICORETTE INVISI, Nicotine, NICOTINE, NICOTINELL CLASSIC, NICOTINELL SUPPORT, NICOTINELL TTS 10, NICOTINELL TTS 20, NICOTINELL TTS 30, Nicotrol, Nicotrol Inhaler, Nicotrol NS, NIQUITIN, NIQUITIN CLR, NIQUITIN MINIS CHERRY, NIQUITIN MINIS MINT, NIQUITIN MINIS ORANGE, NIQUITIN MINT, NIQUITIN PRE-QUIT, NIQUITIN STRIPS MINT, PROSTEP, STOPPERS, STUBIT |
162.24 |
|
0 |
True
|
1 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
54-11-5 |
View |
|
NIFEDIPINE |
CHEMBL193 |
Adalat, ADALAT A.R., ADALAT CC, ADALATE LP, ADALAT IC, ADALAT LA 20, ADALAT LA 30, ADALAT LA 60, ADALAT RET, ADANIF XL, ADIPINE MR 10, ADIPINE MR 20, ADIPINE XL, AFEDITAB CR, ANGIOPINE 10, ANGIOPINE 40 LA, ANGIOPINE 5, ANGIOPINE MR 10, ANGIOPINE MR 20, BAY A 1040, BAY-A-1040, CALANIF, CALCHAN MR 10, CALCHAN MR 20, CALCILAT, CARDILATE MR, CORACTEN SR, CORACTEN XL, CORODAY MR, FORTIPINE LA40, GENALAT 10 RET, GENALAT 20 RET, HYPOLAR RET 10, HYPOLAR RET 20, HYPOLAR XL 30, KENTIPINE, KENTIPINE MR 10, KENTIPINE MR 20, NEOZIPINE XL, NIFEDIPINE, NIFEDIPRESS MR 10, NIFEDIPRESS MR 20, NIFEDOTARD 20 MR, NIFELEASE, NIFENSAR XL, NIFE-WOLFF, NIFOPRESS MR, NIFOPRESS RET, NIMODREL MR 10, NIMODREL MR 20, NIMODREL XL, NIVATEN RET, Procardia, PROCARDIA XL, SLOFEDIPINE XL 30, SLOFEDIPINE XL 60, TENSIPINE MR 10, TENSIPINE MR 20, UNIPINE XL, VALNI 20 RET, VALNI XL, VASAD, Nifedipine |
346.34 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
21829-25-4 |
View |
|
NILOTINIB |
CHEMBL255863 |
AMN-107, Tasigna, SID124894352, Nilotinib; Nilotinib Hydrochloride Monohydrate
|
529.52 |
2.65 |
2 |
True
|
7 |
6.74 |
10.21 |
0.15 |
False |
|
|
|
|
|
|
|
|
View |
|
NIMESULIDE |
CHEMBL56367 |
SID85231150, SID56422364, SID26746940, SID50103974, Nimesulide, SID11111521, SID26751468, R-805, SID11111520, SID124880853, SID855635 |
308.31 |
2.7 |
0 |
True
|
5 |
5.93 |
|
1.33 |
False |
|
|
|
|
|
Bioav: 59%
T1/2: 3 hr
Excr. 57% urinary, 29% bile
PB: 99%
Met: Extensive to 4’OH |
O'Brien, ScreenWell |
|
View |
|
NIPEROTIDINE |
CHEMBL1909284 |
Niperotidine |
434.51 |
1.6 |
0 |
True
|
12 |
|
8.36 |
0.6 |
False |
|
|
|
|
|
|
|
|
View |
|
NITREFAZOLE |
CHEMBL1909285 |
EMD-15-700, Nitrefazole |
248.19 |
2.7 |
0 |
True
|
3 |
|
|
2.7 |
False |
|
|
|
|
|
|
|
|
View |
|
NITRIC ACID |
CHEMBL1352 |
NITRIC ACID, Nitrate (No3-) |
63.01 |
-0.77 |
0 |
False
|
0 |
|
|
-0.77 |
False |
|
|
|
|
|
|
|
|
View |
|
NITROBENZENE |
CHEMBL15750 |
Nitro-Benzene, SID26752996, Nitrobenzene, SID17389793, 1-Nitrobenzene |
123.11 |
1.92 |
0 |
False
|
1 |
|
|
1.92 |
True |
|
|
|
|
|
|
|
|
View |
|
NITROFURANTOIN |
CHEMBL572 |
Nitrofurantoin Macrocrystalline, Macrodantin, Furalan, Ivadantin, SID17389788, SID26747377, Dantafur, Macrobid, Furadantin, Nitrofurantoin |
238.16 |
1.93 |
0 |
True
|
3 |
|
8.88 |
0.72 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
NITROPROPRIONIC ACID |
CHEMBL451226 |
3-Nitroporpionic Acid, 3-Nitropropionate, 3-Nitropropionic Acid, Nitroproprionic Acid, 3-Nitroproprionic Acid |
119.08 |
|
0 |
False
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
76963-41-2 |
View |
|
NIVOLUMAB |
CHEMBL2108738 |
BMS-936558, BMS-986298, MDX1106, MDX-1106, NIVOLUMAB, ONO-4538, OPDIVO |
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True
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False |
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View |
|
NIZATIDINE |
CHEMBL3183075 |
Axid, AXID AR, LY 139037, LY-139037, NIZATIDINE, ZINGA 150, ZINGA 300, Nizatidine |
331.47 |
|
0 |
True
|
10 |
|
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|
False |
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O'Brien |
76963-41-2 |
View |
|
N-METHYL-D-ASPARTIC ACID (NMDA) |
CHEMBL291278 |
Nmda, SID50104314, SID90341063, (R)-2-(Methylamino)Succinic Acid, 2-Methylamino-Succinic Acid, N-Methyl-Daspartate, SID50104313 |
147.13 |
1.39 |
0 |
False
|
4 |
2.21 |
9.96 |
-2.11 |
False |
|
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View |
|
N,N-DIMETHYLBENZYLAMINE |
CHEMBL45591 |
N,N-DIMETHYLBENZYLAMINE, 103-83-3, N-Benzyldimethylamine, Benzyldimethylamine, N,N-dimethyl-1-phenylmethanamine, Dimethylbenzylamine, BDMA, Benzenemethanamine, N,N-dimethyl-, Benzyl-N,N-dimethylamine, Benzylamine, N,N-dimethyl-, N-(Phenylmethyl)dimethylamine, N,N-Dimethylbenzenemethanamine, N,N-Dimethyl-N-benzylamine, Sumine 2015, N-Benzyl-N,N-dimethylamine, N,N-dimethylbenzylamine (BDMA), N,N-dimethyl-1-phenyl-methanamine, NSC 5342, N,N'-Dimethylbenzylamine, CCRIS 6693, Benzenemethamine, N,N-dimethyl-, XXBDWLFCJWSEKW-UHFFFAOYSA-N, EINECS 203-149-1, SBB060233, UN2619, NCGC00090991-02, N,N-Dimethyl-benzylamin, AI3-26794, DSSTox_CID_1854, DSSTox_RID_76367, DSSTox_GSID_21854, CAS-103-83-3, BDMe, Dabco BDMA, dimethylbenzyl amine, dimethyl benzyl amine, Benzyl-dimethyl-amine, N-benzyl dimethylamine, Dabco B-16, Benzylamine,N-dimethyl-, TYP7AXQ1YJ, UNII-TYP7AXQ1YJ, N,N-dimethyl benzylamine, N,N-dimethyl-benzylamine, AC1L1PBC, N, N-Dimethylbenzylamine, ACMC-1C9EH, N,N-dimethyl benzyl amine, Benzenemethanamine,dimethyl-, dimethyl (phenylmethyl)amine, SCHEMBL15900, Benzenemethanamine, dimethyl-, KSC174Q6N, MLS002222342, CHEMBL45591, 185582_ALDRICH, Jsp000392, N,N-Dimethyl(phenyl)methanamine, benzenemethanamine,n,n-dimethyl-, DTXSID8021854, 13365_FLUKA, 13365_SIGMA, 1875-92-9 (hydrochloride), CTK0H4866, NSC5342, Sumine 2015, Benzenemethanamine, N,N-Dimethyl(phenyl)methanamine #, WLN: 1N1 & 1R, NSC-5342, ZINC1680865, Tox21_113457, Tox21_200719, ANW-14979, MFCD00008329, AKOS000120578, FCH2252681, MCULE-1078934827, RP20218, TRA0079877, UN 2619, NCGC00090991-01, NCGC00090991-03, NCGC00258273-01, AC-10211, AJ-29652, AK-96011, AN-24657, BBV-46873514, I787, LS-43336, OR034259, OR290812, OR290813, SMR001307284, Benzyldimethylamine [UN2619] [Corrosive], TR-000888, Benzyldimethylamine [UN2619] [Corrosive], D0688, FT-0657620, Q0049, ST24025513, ST51046456, N-UEth>>u paragraph signthorn(1/4)x degrees ., 104102-EP2377813A1, 104102-EP2380869A1, 104102-EP2380870A1, 135594-EP2277868A1, 135594-EP2277869A1, 135594-EP2277870A1, 135594-EP2292608A1, I01-6346, InChI=1/C9H13N/c1-10(2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H, 28262-13-7, 59125-51-8, Benzyl-Dimethyl-Amine, N,N-Dimethylbenzylamine |
135.21 |
1.72 |
0 |
False
|
2 |
|
8.8 |
0.31 |
True |
|
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View |
|
N-NITROSODIMETHYLAMINE |
CHEMBL117311 |
Dimethylnitrosamine, N-N-Dimethyl N Nitrosoamine, Nitrosodimethylamine |
74.08 |
|
0 |
False
|
1 |
|
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|
True |
|
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|
O'Brien |
62-75-9 |
View |
|
NOCODAZOLE |
CHEMBL9514 |
NOCODAZOLE, R 17,934, Nocodazole |
301.33 |
|
0 |
True
|
3 |
|
|
|
False |
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|
O'Brien |
31430-18-9 |
View |
|
No compound |
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False
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False |
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View |
|
NOMIFENSINE |
CHEMBL273575 |
Alival, SID50105261, Merital, Nomifensine, SID90340560 |
238.33 |
2.88 |
0 |
True
|
1 |
|
6.51 |
2.83 |
True |
|
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O'Brien |
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View |
|
NORDIHYDROGUAIARETIC ACID |
CHEMBL52 |
Actinex, CHX-100, MESO-NDGA, Nordihydroguaiaretic acid |
302.37 |
|
0 |
True
|
5 |
|
|
|
False |
|
|
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|
|
|
ScreenWell |
500-38-9 |
View |
|
NORFLOXACIN |
CHEMBL9 |
Baccidal, CHIBROXIN, MK-366, NORFLOXACIN, Noroxin, Quinabic, UTINOR, Norfloxacin |
319.34 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
70458-96-7 |
View |
|
NOVOBIOCIN |
CHEMBL36506 |
Albamycin, ALBAMYCIN T, Cathomycin, NOVOBIOCIN, Novobiocin |
612.63 |
|
2 |
True
|
8 |
|
|
|
False |
|
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|
O'Brien |
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View |
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obeticholic acid |
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False
|
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False |
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View |
|
OBETICHOLIC ACID |
CHEMBL566315 |
DSP-1747, INT-747, OBETICHOLIC ACID |
420.63 |
5.81 |
0 |
False
|
5 |
4.76 |
|
3.2 |
False |
|
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View |
|
Octamethylcyclotetrasiloxaneo |
CHEMBL1869229 |
|
296.62 |
|
|
False
|
|
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|
|
False |
|
|
|
|
|
|
|
556-67-2 |
View |
|
OCTANOIC ACID |
CHEMBL324846 |
octanoic acid, caprylic acid, n-octanoic acid, 124-07-2, n-caprylic acid, Octylic acid, n-octylic acid, octoic acid, n-Octoic acid, neo-fat 8, 1-heptanecarboxylic acid, Enantic acid, Octic acid, C-8 acid, Caprylsaeure, Octanoic Acid |
144.21 |
2.74 |
0 |
False
|
6 |
4.78 |
|
0.15 |
False |
|
|
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View |
|
OCTOXYNOL 9 |
CHEMBL2104613 |
OCTOXINOL, OCTOXYNOL 9, TRITON X-100, Triton X |
514.69 |
3.72 |
1 |
True
|
24 |
|
|
3.72 |
False |
|
|
|
|
|
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View |
|
OKADAIC ACID |
CHEMBL280487 |
|
805.0 |
5.53 |
2 |
False
|
10 |
11.4 |
9.85 |
3.17 |
False |
|
|
|
|
|
|
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|
View |
|
OLANZAPINE |
CHEMBL715 |
ARKOLAMYL, LY170053, LY-170053, OLANSEK, OLANZAPINE, OLANZAPINE APOTEX, OLANZAPINE CIPLA, OLANZAPINE GLENMARK, OLANZAPINE MYLAN, OLANZAPINE TEVA, OLAZAX, OLAZAX DISPERZI, ZALASTA, Zyprexa, ZYPREXA VELOTAB, ZYPREXA ZYDIS |
312.44 |
|
0 |
True
|
0 |
|
|
|
False |
|
|
|
|
|
|
|
132539-06-1 |
View |
|
OLEIC ACID |
CHEMBL8659 |
OLEIC ACID |
282.46 |
7.42 |
1 |
False
|
15 |
4.78 |
|
4.83 |
False |
|
|
|
|
|
|
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|
View |
|
Oncostatin M |
|
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|
|
False
|
|
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|
|
False |
|
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|
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|
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|
View |
|
OTILIMAB |
CHEMBL2109433 |
GSK3196165, GSK-3196165, MOR103, MOR-103, OTILIMAB |
|
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
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|
View |
|
OXALIPLATIN |
CHEMBL414804 |
ELOXATIN, JM-83, L-OHP, OXALIPLATIN, RP-54780, SR-96669 |
|
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
OXYBUTYNIN |
CHEMBL1231 |
Oxybutynin, Anturol, Oxytrol, SID90341037, Ditropan, Oxytrol For Women, SID50105262 |
357.49 |
5.05 |
0 |
True
|
10 |
11.95 |
8.24 |
4.15 |
False |
|
|
|
|
|
|
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View |
|
OXYPHENISATIN ACETATE |
CHEMBL1402684 |
Lavema, Isocrin, Acetphenolisatin, SID29215359, SID26754500, Oxyphenisatine, Oxyphenisatin Acetate |
401.41 |
2.31 |
0 |
True
|
6 |
13.55 |
|
2.31 |
False |
|
|
|
|
|
|
|
|
View |
|
OXYPHENONIUM |
CHEMBL1201286 |
Oxyphenonium |
348.5 |
6.01 |
0 |
True
|
9 |
|
7.11 |
5.92 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
PACLITAXEL |
CHEMBL428647 |
ABRAXANE, BMS-181339-01, PACITAXEL, PACLITAXEL, PAXENE, TAXOL, TAXOL 100, Paclitaxel |
853.92 |
3.95 |
2 |
True
|
10 |
11.9 |
|
3.95 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
Palbociclib |
|
|
|
|
|
False
|
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|
|
False |
|
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View |
|
Palifermin |
|
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|
|
False
|
|
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|
|
False |
|
|
|
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|
|
|
View |
|
PALIFOSFAMIDE |
CHEMBL889 |
IPM, Isophosphamide mustard, N,N'-Bis-(2-Chloroethyl)Phosphoric Acid, PALIFOSFAMIDE, ZIO-201 |
221.02 |
0.23 |
0 |
True
|
6 |
0.79 |
6.0 |
-2.64 |
False |
|
|
|
|
|
|
|
|
View |
|
PALMITIC ACID |
CHEMBL82293 |
PALMITIC ACID |
256.42 |
6.81 |
1 |
True
|
14 |
4.78 |
|
4.22 |
False |
|
|
|
|
|
|
|
|
View |
|
PAMIDRONIC ACID |
CHEMBL834 |
CGP-23339AE, Pamidronic Acid, SID29217620, Aredia, SID29215372, Pamidronate |
235.07 |
5.39 |
1 |
True
|
4 |
0.17 |
12.81 |
0.98 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
Panobinostat |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
PARAQUAT |
CHEMBL74469 |
|
186.25 |
-2.56 |
0 |
False
|
1 |
|
|
-2.56 |
True |
|
|
|
|
|
|
|
|
View |
|
PARAQUAT DICHLORIDE |
CHEMBL458019 |
Methyl Viologen, Paraquat, SID57260150 |
257.16 |
-2.56 |
0 |
False
|
1 |
|
|
-2.56 |
True |
|
|
|
|
|
|
|
|
View |
|
PARGYLINE |
CHEMBL673 |
Eutonyl, Eutron, Pargyline, PARGYLINE |
159.23 |
|
0 |
True
|
3 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
555-57-7 |
View |
|
PAROXETINE |
CHEMBL490 |
BRL-29060, Paroxetine, Paxil, SID50104981, SID26752262, SID144206674, SID50104978, SID50104979, SID50104980, SID29215051, SID90341371, Paxil [as hydrochloride], Pexeva |
329.37 |
3.7 |
0 |
True
|
4 |
|
9.68 |
1.48 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
P-BROMOPHENOL |
CHEMBL57284 |
4-Bromophenol, 4-Bromo-Phenol, P-Bromophenol, p-Bromophenol |
173.01 |
|
0 |
False
|
0 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
106-41-2 |
View |
|
PBS |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
p-CRESOL |
CHEMBL16645 |
4-Methylphenol, para-cresol, p-cresol, p-Cresol |
108.14 |
|
0 |
False
|
0 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
106-44-5 |
View |
|
PEMOLINE |
CHEMBL1177 |
Pemoline, SID26719702, Cylert, Fenoxazol |
176.17 |
0.43 |
0 |
True
|
1 |
|
0.27 |
0.43 |
False |
|
|
|
|
|
|
|
|
View |
|
PENICILLIN V POTASSIUM |
CHEMBL1200852 |
Beepen-vk, Beepen VK, Betapen-vk, LEDERCILLIN VK, PENAPAR-VK, PENICILLIN POTASSIUM PHENOXYMETHYL, Penicillin VK, PENICILLIN-VK, PENICILLIN V POTASSIUM, Pen-vee K, Pfizerpen Vk, Phenoxymethylpenicillin K, PHENOXYMETHYLPENICILLIN POTASSIUM, UTICILLIN VK, V-cillin K, V-Cillin-K, Veetids, VEETIDS '125', VEETIDS '250', VEETIDS '500', Penicillin V Potassium Salt |
388.49 |
|
0 |
True
|
5 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
132-98-9 |
View |
|
PENTACHLOROPHENOL |
CHEMBL75967 |
SID545941, SID47193736, 2, 3, 4, 5, 6-Pentachloro-Phenol, Pentachlorophenol |
266.34 |
5.12 |
0 |
False
|
0 |
4.68 |
|
2.53 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
Pentoxifylline |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
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View |
|
Perfluorobutane Sulfonate |
|
Perfluorobutanesulfonic acid, PFBS |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
29420-49-3 |
View |
|
Perfluorobutanesulfonic acid |
CHEMBL1198521 |
|
300.1 |
|
0 |
False
|
3 |
|
|
|
False |
|
|
|
|
|
|
|
375-73-5 |
View |
|
Perfluoroheptanoic acid |
CHEMBL172763 |
2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-Heptanoic Acid |
364.06 |
|
0 |
False
|
5 |
|
|
|
False |
|
|
|
|
|
|
|
375-85-9 |
View |
|
Perfluorohexanesulfonic acid |
CHEMBL1906987 |
Perfluorohexanesulfonic acid potassium salt, Potassium tridecafluoro-1-hexanesulfonate |
400.11 |
|
0 |
False
|
5 |
|
|
|
False |
|
|
|
|
|
|
|
355-46-4 |
View |
|
Perfluorohexanoic acid |
|
PFHxA |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
307-24-4 |
View |
|
Perfluorononanoic acid |
CHEMBL426404 |
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-Nonanoic Acid
PFNA |
464.07 |
|
1 |
False
|
7 |
|
|
|
False |
|
|
|
|
|
|
|
375-95-1 |
View |
|
PERFLUOROOCTANE-1-SULFONIC ACID |
CHEMBL1876554 |
SID26757868, SID144214044 |
500.13 |
4.69 |
1 |
False
|
8 |
|
5.21 |
4.69 |
False |
|
|
|
|
|
|
|
|
View |
|
Perfluorooctanesulfonic acid |
|
PFOS |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
1763-23-1 |
View |
|
PERFLUOROOCTANOIC ACID |
CHEMBL172988 |
SID26757867, 2, 2, 3, 3, 4, 4, 5, 5, 6, 6, 7, 7, 8, 8, 8-Pentadecafluoro-Octanoic Acid |
414.07 |
6.44 |
0 |
False
|
7 |
0.5 |
|
2.69 |
False |
|
|
|
|
|
|
|
|
View |
|
PERGOLIDE |
CHEMBL531 |
Pergolide, Pergotoliderived, SID104171354, SID26754330, SID26754331, SID90341767, Permax |
314.49 |
3.9 |
0 |
True
|
4 |
|
7.98 |
2.5 |
False |
|
|
|
|
|
|
|
|
View |
|
PERGOLIDE MESYLATE |
CHEMBL1275 |
SID11533039, Pergolide Mesylate, SID144204371, LY-127809, Permax |
410.59 |
3.9 |
0 |
True
|
4 |
|
7.98 |
2.5 |
False |
|
|
|
|
|
|
|
|
View |
|
PERHEXILINE |
CHEMBL75880 |
Perhexiline |
277.49 |
6.47 |
1 |
True
|
4 |
|
10.52 |
3.66 |
False |
|
|
|
|
|
|
|
|
View |
|
PERHEXILINE MALEATE |
CHEMBL1334033 |
PERHEXILINE MALEATE, Pexid, PEXSIG, Perhexiline Maleate |
393.57 |
|
1 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
6724-53-4 |
View |
|
PERMETHRIN |
CHEMBL1525 |
SID26754484, Permethrin, SID29215320, Nix, SID57260102, Elimite |
391.29 |
7.64 |
1 |
True
|
7 |
|
|
7.64 |
False |
|
|
|
|
|
|
|
|
View |
|
Pgp inhibitor LNS |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
PHENACETIN |
CHEMBL16073 |
Phenacetin, SID11112166, Acetphenetidin, Acetophenetidin, SID144203898, SID124882016 |
179.22 |
1.66 |
0 |
True
|
3 |
|
1.42 |
1.66 |
True |
|
|
|
|
|
|
O'Brien |
|
View |
|
PHENFORMIN |
CHEMBL170988 |
PHENFORMIN, Phenformin |
205.26 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
114-86-3 |
View |
|
PHENOBARBITAL |
CHEMBL40 |
ESKABARB, LUMINAL, Luminal, Noptil, PHENEMAL, PHENOBARBITAL, PHENYLETHYLMALONYLUREA, Phenobarbital, Phenobarbitone, SOLFOTON, Solfoton, TALPHENO |
232.24 |
4.54 |
0 |
True
|
2 |
2.12 |
10.22 |
1.99 |
False |
|
|
|
|
|
|
|
|
View |
|
PHENOLPHTHALEIN |
CHEMBL63857 |
SID104171370, SID855935, SID26747045, SID26747046, SID56422367, SID50104178, Ex-Lax, Phenolphthalein, SID144204389, Prulet, SID50100917, SID26751565, SID17389766 |
318.32 |
1.91 |
0 |
True
|
2 |
9.23 |
|
1.9 |
False |
|
|
|
|
|
|
|
|
View |
|
PHENOLPHTHALEIN GLUCURONIDE |
|
Phenolphthalein glucuronide, 6820-54-8, EINECS 229-896-3, Phenolphthalein b-D-glucuronide sodium salt, 15265-26-6 (Parent), VZ33623 |
516.428709 |
|
|
False
|
5 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
PHENOXYBENZAMINE |
CHEMBL753 |
PHENOXYBENZAMINE, Phenoxybenzamine |
303.83 |
3.69 |
0 |
True
|
8 |
|
6.58 |
3.62 |
False |
|
|
|
|
|
|
|
|
View |
|
PHENOXYPROPAZINE |
CHEMBL1909286 |
Phenoxypropazine, Fenoxypropazine |
166.22 |
0.86 |
0 |
True
|
4 |
|
7.06 |
0.59 |
False |
|
|
|
|
|
|
|
|
View |
|
PHENYLBUTAZONE |
CHEMBL101 |
Elmedal, SID144203794, Pro-Bute, Azolid, SID17389760, Diphenylbutazone, Equiphar, SID50104199, SID85231197, Butaject, SID56436656, SID104171221, Butazolidin, Phenylbutazone, Antadol, SID855958, SID11111674, SID26751573, SID26747057, SID104171220, SID90341773 |
308.37 |
3.38 |
0 |
True
|
5 |
4.64 |
|
1.07 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
PHENYLEPHRINE |
CHEMBL1215 |
AB-101 (PHENYLEPHRINE), Cyclomydril, Duo-Medihaler, J8.601K, METASYNEPHRINE, META-SYNEPHRINE, M-OXEDRINE, M-SYMPATHOL, M-SYMPATOL, M-SYNEPHRINE, Phenylephrine, PHENYLEPHRINE, (-)-PHENYLEPHRINE, PHENYLEPHRINE MINIMS, PHENYLEPHRINE, (R)-, R(-)-MEZATON, (R)-PHENYLEPHRINE |
167.21 |
|
0 |
True
|
3 |
|
|
|
True |
|
|
|
|
|
|
|
59-42-7 |
View |
|
PHENYTOIN |
CHEMBL16 |
Dilabid, Dilantin, DILANTIN-125, DILANTIN-30, Diphenylhydantoin, DIPHENYLHYDANTOIN, Hydantol, NSC-8722, Phentytoin, Phenytek, Phenytex, PHENYTOIN, SM-88 COMPONENT PHENYTOIN, Phenytoin |
252.27 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
57-41-0 |
View |
|
PHLORIZIN |
CHEMBL245067 |
Phloridzin |
436.41 |
|
1 |
False
|
7 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
PHORBOL MYRISTATE ACETATE |
CHEMBL279115 |
NSC-262244, PHORBOL 12-MYRISTATE 13-ACETATE DIESTER, PHORBOL MYRISTATE ACETATE |
616.84 |
|
2 |
False
|
15 |
|
|
|
False |
|
|
|
|
|
|
|
16561-29-8 |
View |
|
Phosphate Buffered Saline |
|
PBS |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
PHOSPHORIC ACID |
CHEMBL1187 |
E338, PHOSPHORIC ACID, Phosphoric Acid |
98.0 |
0.39 |
0 |
True
|
0 |
8.48 |
6.77 |
0.18 |
False |
|
|
|
|
|
|
|
|
View |
|
PHOSPHORUS PENTACHLORIDE |
CHEMBL1465793 |
PHOSPHORUS PENTACHLORIDE, Phosphorus(V) chloride, 10026-13-8, Pentachlorophosphorane, PCl5, Phosphorane, pentachloro-, Phosphoric chloride, Phosphoric perchloride, Phosphorus perchloride, Phosphorous pentachloride, Fosforpentachloride [Dutch], Phosphorus chloride (PCl5), Phosphorpentachlorid [German], Pieciochlorek fosforu [Polish], CHEBI:30335, HSDB 1205, Fosforo(pentacloruro di) [Italian], EINECS 233-060-3, MFCD00011439, Phosphore(pentachlorure de) [French], UN1806, Fosforpentachloride, Phosphorpentachlorid, Pentachlorophosphorus, Pieciochlorek fosforu, pentachloridophosphorus, Phosphoruspentachloride, ACMC-20ajw1, Phosphorane,pentachloro-, Fosforo(pentacloruro di), phosphorus (V)-chloride, phosphorus penta-chloride, phosphorus-(V)-chloride, phosphorous (V) chloride, pentachloro-|E5-phosphane, UNII-0EX753TYDU, Phosphore(pentachlorure de), AC1L2NP4, [PCl5], 0EX753TYDU, DSSTox_CID_13896, DSSTox_RID_79101, DSSTox_GSID_33896, Pentachloro-lambda5-phosphane, KSC492K0J, Phosphorous (V) pentachloride, pentachloro-$l^{5}-phosphane, 643726_ALDRICH, pentachloro-lambda(5)-phosphane, CHEMBL1465793, DTXSID9033896, 79590_FLUKA, CTK3J2504, UHZYTMXLRWXGPK-UHFFFAOYSA-N, 79590_SIAL, 157775_SIAL, EBD15509, Tox21_202530, OR5200, AKOS015918493, pentakis(chloranyl)-$l^{5}-phosphane, Phosphorus(V) chloride, polymer-bound, Phosphorus pentachloride, polymer-bound, TRA0005251, InChI=1/Cl5P/c1-6(2,3,4), NCGC00090975-01, NCGC00260079-01, AN-20975, IN000754, IN005764, CAS-10026-13-8, DB-002853, LS-107454, FT-0082091, FT-0601937, P1612, Phosphorus pentachloride [UN1806] [Corrosive], Phosphorus pentachloride [UN1806] [Corrosive], A800083, I14-8052, SID17388776 |
208.24 |
|
0 |
False
|
0 |
|
|
|
True |
|
|
|
|
|
|
|
|
View |
|
PHOSPHORUS TRIBROMIDE |
|
tribromophosphane |
270.686 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
PHYSOSTIGMINE |
CHEMBL94 |
ESERINE, MCV-4484, NSC-30782, Physostigmine, PHYSOSTIGMINE, Eserine |
275.35 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
57-47-6 |
View |
|
PICOTAMIDE |
CHEMBL1257015 |
Picotamide, PICOTAMIDE |
376.42 |
|
0 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
32828-81-2 |
View |
|
PILOCARPINE |
CHEMBL550 |
Ocusert Pilo, Pilocarpine |
208.26 |
-0.24 |
0 |
True
|
3 |
|
7.02 |
-0.39 |
True |
|
|
|
|
|
|
|
|
View |
|
PIMOBENDAN |
CHEMBL24646 |
Acardi, PIMOBENDAN, Pimobendane, UDCG-115, Vetmedin |
334.37 |
2.08 |
0 |
False
|
3 |
10.55 |
4.43 |
2.08 |
False |
|
|
|
|
|
|
|
|
View |
|
PIMOZIDE |
CHEMBL1423 |
MCN-JR-6238, NSC-170984, Orap, PIMOZIDE, R 623, R-623, R 6238, R-6238, Pimozide |
461.56 |
|
1 |
True
|
7 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
2062-78-4 |
View |
|
PINACIDIL |
CHEMBL1159 |
PINACIDIL, Pindac, Pinacidil |
245.33 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
60560-33-0 |
View |
|
PIOGLITAZONE |
CHEMBL595 |
Actos, SID137275816, SID26756476, Pioglitazone, Duetact |
356.44 |
2.36 |
0 |
True
|
7 |
|
7.75 |
1.86 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
PIPAMAZINE |
CHEMBL1909072 |
Pipamazine |
401.95 |
4.87 |
0 |
True
|
5 |
8.0 |
4.25 |
4.78 |
False |
|
|
|
|
|
|
|
|
View |
|
PIROXICAM |
CHEMBL527 |
BREXIDOL, CP-16171, CP-16,171, Feldene, FELDENE 20, FELDENE P, FLAMATROL, KENTENE, LARAPAM, NSC-666076, PIROFLAM 10, PIROFLAM 20, PIROXICAM, PIROZIP 10, PIROZIP 20, Piroxicam |
331.35 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
36322-90-4 |
View |
|
PIRPROFEN |
CHEMBL188952 |
Pirprofen, SU-21524 |
251.71 |
2.15 |
0 |
True
|
3 |
4.56 |
3.53 |
-0.6 |
False |
|
|
|
|
|
|
|
|
View |
|
Placebo |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
POLYMYXIN B |
CHEMBL1201283 |
POLYMYXIN B, Polymyxin b |
1203.48 |
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
Polymyxin E (Colistin) |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
POTASSIUM HYDROXIDE |
CHEMBL2103983 |
POTASSIUM HYDROXIDE |
56.1 |
|
|
True
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
PRAVASTATIN |
CHEMBL1144 |
Pravastatin, Pravachol, PravastatinNa |
424.53 |
2.21 |
0 |
True
|
11 |
4.31 |
|
-0.88 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
PRAZIQUANTEL |
CHEMBL976 |
Biltricide, CESOL, Cestocur, CISTICID, CYSTICIDE, Droncit, EMBAY 8440, EMBAY-8440, PRAZIQUANTEL, Praziquantel |
312.41 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
55268-74-1 |
View |
|
PREDNISONE |
CHEMBL635 |
CORTAN, CORTANCYL, DECORTISYL, Delta-dome, Deltasone, FERNISONE, LIQUID PRED, LODOTRA, Meticorten, NSC-10023, Orasone, PARACORT, PREDNICEN-M, Prednisone, PREDNISONE, PREDNISONE INTENSOL, PREDNISONE TABLETS, RAYOS, SERVISONE, Sterapred |
358.43 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
53-03-2 |
View |
|
PRIMAQUINE |
CHEMBL506 |
Primaquine, SID24715073, SID24715072 |
259.35 |
2.74 |
0 |
True
|
6 |
|
10.38 |
0.01 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
PRIMIDONE |
CHEMBL856 |
Lepsiral, LISKANTIN, Mysoline, Neurosyn, NSC-41701, Primidone, PRIMIDONE |
218.26 |
|
0 |
True
|
2 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
125-33-7 |
View |
|
PROBENECID |
CHEMBL897 |
Benemid, Probecid, Probenecid, SID56424104, Probampicin, SID50100375, SID855953, Probalan |
285.36 |
2.59 |
0 |
True
|
7 |
10.02 |
12.88 |
-0.41 |
False |
|
|
|
|
|
|
|
|
View |
|
PROCAINAMIDE |
CHEMBL640 |
Pronestyl, SID11111691, Procainamide, Procan, Procanbid, Pronestyl-SR, SID11111690, Procapan |
235.33 |
1.32 |
0 |
True
|
6 |
|
9.09 |
-0.56 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
PRODIAMINE |
CHEMBL1223140 |
SID26757272 |
350.29 |
5.79 |
0 |
False
|
8 |
|
|
5.79 |
False |
|
|
|
|
|
|
|
|
View |
|
PROGESTERONE |
CHEMBL103 |
CRINONE, Crinone, ENDOMETRIN, Endometrin, Gesterol, PROGESTERONE, PROMETRIUM, Progestasert, Progesterone, Progestin, Prometrium, Regumate, Syngestrone |
314.46 |
3.83 |
0 |
True
|
1 |
|
|
3.83 |
False |
|
|
|
|
|
|
|
|
View |
|
PROMETHAZINE |
CHEMBL643 |
NSC-30321, Phenergan, Promethacon, Promethazine, PROMETHAZINE, Promethegan, Remsed, RP-3277, Zipan-25, Zipan-50, Promethazine hydrochloride |
284.43 |
|
0 |
True
|
3 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
60-87-7 |
View |
|
PROPRANOLOL |
CHEMBL27 |
Propranolol, SID26751802, Inderide-40/25, SID124881056, Innopran Xl, Inderal, SID50104497, Inderide-80/25, SID90341556, SID26755283 |
259.34 |
2.9 |
0 |
True
|
6 |
13.84 |
9.5 |
0.79 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
PROPRANOLOL HYDROCHLORIDE |
CHEMBL1671 |
AY 64043, AY-64043, ICI 45520, ICI-45520, INDERAL, INNOPRAN, Inderal la, Innopran xl, PROPRANOLOL HYDROCHLORIDE, Propranolol hydrochloride, Propranolol hydrochloride intensol, Sagittol, Tesnol |
295.8 |
2.9 |
0 |
True
|
6 |
13.84 |
9.5 |
0.79 |
False |
|
|
|
|
|
|
|
|
View |
|
PROPYL GALLATE |
CHEMBL7983 |
E310, E-310, FEMA NO. 2947, INS-310, INS NO.310, NSC-2626, PROPYL GALLATE, Propyl gallate |
212.2 |
|
0 |
False
|
3 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
121-79-9 |
View |
|
PROPYLTHIOURACIL |
CHEMBL1518 |
NSC-6498, NSC-70461, Propacil, Propylthiouracil, PROPYLTHIOURACIL, Prothyran, Thyreostat, Propythiouracil |
170.24 |
|
0 |
True
|
2 |
|
|
|
True |
|
|
|
|
|
|
O'Brien |
51-52-5 |
View |
|
PTEC Maintenance Media |
|
DMEM/F12 (Gibco, 11330-032)
1x insulin-transferrin-selenium-sodium pyruvate (ITS-A, Gibco, 51300044)
50 nM hydrocortisone (Sigma, H6909)
1x Antibiotic-Antimycotic (Gibco, 15240062) |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
PULEGONE |
CHEMBL2924219 |
(+)-Pulegone |
152.24 |
|
0 |
False
|
0 |
|
|
|
True |
|
|
|
|
|
|
ScreenWell |
89-82-7 |
View |
|
PUROMYCIN |
CHEMBL469912 |
3123L, CL 13,900, GNF-Pf-2016, P-638, PUROMYCIN, TCMDC-123493 |
471.52 |
|
1 |
True
|
8 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
PYRAZINAMIDE |
CHEMBL614 |
D-50, MK-56, NSC-14911, PIRILENE, PYRAFAT, Pyrazinamide, PYRAZINAMIDE, PYRAZINECARBOXAMIDE, TEBRAZID |
123.11 |
|
0 |
True
|
1 |
|
|
|
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
98-96-4 |
View |
|
PYRIDOXINE |
CHEMBL1364 |
Hexa-Betalin, M.V.I.-12, PYRIDOXINE, PYRIDOXINE (VIT B6), Vitamin B6, Pyridoxine |
169.18 |
|
0 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
65-23-6 |
View |
|
PYRIMETHAMINE |
CHEMBL36 |
SID50100376, Pyrimethamine, Daraprim, Malacide, SID50104113, GNF-Pf-5586, Chloridin, TCMDC-123831, TCMDC-125860 |
248.71 |
2.75 |
0 |
True
|
2 |
|
7.18 |
2.55 |
False |
|
|
|
|
|
|
O'Brien |
|
View |
|
QUINACRINE |
CHEMBL7568 |
GNF-Pf-5448, MEPACRINE, QUINACRINE, Quinacrine |
399.97 |
|
1 |
True
|
9 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
83-89-6 |
View |
|
QUINIDINE |
CHEMBL1294 |
QUINIDINE, Quinidine |
324.42 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
56-54-2 |
View |
|
QUININE |
CHEMBL170 |
NSC-192949, Quinine, QUININE, WR297608 |
324.42 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
O'Brien |
130-95-0 |
View |
|
RALOXIFENE |
CHEMBL81 |
Evista, RALOXIFENE, Raloxifene |
473.58 |
4.57 |
1 |
False
|
7 |
8.83 |
8.52 |
3.4 |
False |
|
|
|
|
|
|
|
|
View |
|
RANITIDINE HYDROCHLORIDE |
CHEMBL2110372 |
AH 19065, RANITIDINE HYDROCHLORIDE, ZANTAC, ZANTAC 150, ZANTAC 25, ZANTAC 300, ZANTAC 75 |
350.86 |
-0.07 |
0 |
True
|
10 |
|
8.36 |
-1.07 |
False |
|
|
|
|
|
|
|
|
View |
|
Rapamycin |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
Receptor-associated protein (RAP) |
|
LDL receptor associated protein, LRPAP1, LDL receptor-related protein-associated protein 1 |
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
REMDESIVIR |
CHEMBL4065616 |
GS 5734, GS-5734, REMDESIVIR |
602.59 |
|
2 |
True
|
13 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
REPAGLINIDE |
CHEMBL1272 |
AG-EE 623 ZW, AGEE-623ZW, PRANDIN, Prandin, REPAGLINIDE |
452.59 |
4.88 |
1 |
True
|
10 |
4.19 |
5.78 |
1.99 |
False |
|
|
|
|
|
|
|
|
View |
|
RESMETIROM |
CHEMBL3261331 |
MGL-3196, RESMETIROM, VIA-3196 |
435.23 |
|
0 |
True
|
4 |
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
RESORCINOL |
CHEMBL24147 |
Resorcin, Resorcinol, SID17389742 |
110.11 |
0.82 |
0 |
True
|
0 |
9.45 |
|
0.81 |
True |
|
|
|
|
|
|
|
|
View |
|
RESORUFIN |
CHEMBL1185321 |
SID76883 |
213.19 |
2.77 |
0 |
False
|
0 |
10.2 |
9.36 |
0.94 |
False |
|
|
|
|
|
|
|
|
View |
|
RESVERATROL |
CHEMBL165 |
SID90341821, (E)-resveratrol, 3, 5, 4'-Trihydroxy-trans-stilbene, SID855986, Resveratrol, SID50126366, SID85231343 |
228.24 |
3.02 |
0 |
False
|
2 |
9.22 |
|
3.02 |
False |
|
|
|
|
|
|
|
|
View |
|
Rhodamine 123 |
|
|
|
|
|
False
|
|
|
|
|
False |
|
|
|
|
|
|
|
|
View |
|
RIFAMPICIN |
CHEMBL374478 |
BA-41166E, L-5103-LEPETIT, Rifadin, Rifampicin, Rimactane, L-5103, Rifampin, SID144204882, BA-411661E |
822.94 |
2.05 |
3 |
True
|
5 |
4.96 |
7.3 |
-0.46 |
False |
|
|
|
|
|
|
O'Brien, ScreenWell |
|
View |
|
RIFAMYCIN SODIUM |
CHEMBL2105680 |
AEMCOLO, CB-01-11, RIFAMYCIN, RIFAMYCIN SODIUM, RIFAMYCIN SV, Rifamycin sodium, Rifamycin SV sodium salt |
719.76 |
|
3 |
True
|
2 |
|
|
|
False |
|
|
|
|
|
|
ScreenWell |
14897-39-3 |
View |
|
RILUZOLE |
CHEMBL744 |
RILUTEK, RILUZOLE, RP 54274, TEGLUTIK |
234.2 |
2.92 |
0 |
True
|
1 |
|
2.96 |
2.92 |
False |
|
|
|
|
|
|
|
|
View |
|
RITONAVIR |
CHEMBL163 |
A-84538, ABBOTT-84538, ABT-538, Norvir, NSC-693184, RITONAVIR, RITONAVIR RELATED COMPOUNDS MIXTURE, Ritonavir |