| 8O7 | Name: | N-(2-aminoethyl)-4'-(((4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)thio)methyl)-[1,1'-biphenyl]-4-sulfonami
de | Formula: | C22 H24 N4 O3 S2 | SMILES: | C(N)CNS(=O)(c1ccc(cc1)c2ccc(cc2)CSC4=NC=3CCCC=3C(N4)=O)=O | InChi: | InChI=1S/C22H24N4O3S2/c23-12-13-24-31(28,29)18-10-8-17(9-11-18)16-6-4-15(5-7-16)14-30-22-25-20-3-1-2-19(20)21(27)26-22/h4-11,24H,1-3,12-14,23H2,(H,25,26,27) | Synonyms: | N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfon
amide | Definition date: | 2017-02-22 | Last modified: | 2020-06-17 | Release date: | 2017-07-12 | Identifier: | N-(2-aminoethyl)-4'-{[(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)sulfanyl]methyl}[1,1'-biphenyl]-4-sulfonamide |
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| 8OR | Name: | 2-[[(1S,2S)-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6H-pyrido[4,3-d]pyrimidin-5-one | Formula: | C20 H24 N6 O3 S | SMILES: | C[S](=O)(=O)c1ccc(Nc2nc(N[CH]3CCCC[CH]3N)nc4C=CNC(=O)c24)cc1 | InChi: | InChI=1S/C20H24N6O3S/c1-30(28,29)13-8-6-12(7-9-13)23-18-17-16(10-11-22-19(17)27)25-20(26-18)24-15-5-3-2-4-14(15)21/h6-11,14-15H,2-5,21H2,1H3,(H,22,27)(H2,23,24,25,26)/t14-,15-/m0/s1 | Synonyms: | (1S,2S)-2-((4-((4-(methylsulfonyl)phenyl)amino)-5-oxo-5,6-dihydropyrido[4,3-d]pyrimidin-2-yl)amino)cyclohexan-1-aminium | Definition date: | 2017-08-23 | Last modified: | 2020-06-17 | Release date: | 2018-06-27 | Identifier: | 2-[[(1~{S},2~{S})-2-azanylcyclohexyl]amino]-4-[(4-methylsulfonylphenyl)amino]-6~{H}-pyrido[4,3-d]pyrimidin-5-one |
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| 8OU | Name: | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8H-pyrido[4,3-d]pyrimidin-5-one | Formula: | C20 H21 N7 O2 | SMILES: | Cn1ncc2cc(Nc3nc(nc4CC=NC(=O)c34)N5CCC(O)CC5)ccc12 | InChi: | InChI=1S/C20H21N7O2/c1-26-16-3-2-13(10-12(16)11-22-26)23-18-17-15(4-7-21-19(17)29)24-20(25-18)27-8-5-14(28)6-9-27/h2-3,7,10-11,14,28H,4-6,8-9H2,1H3,(H,23,24,25) | Synonyms: | 2-(4-hydroxypiperidin-1-yl)-4-((1-methyl-1H-indazol-5-yl)amino)pyrido[4,3-d]pyrimidin-5(6H)-one | Definition date: | 2017-08-23 | Last modified: | 2020-06-17 | Release date: | 2018-06-27 | Identifier: | 4-[(1-methylindazol-5-yl)amino]-2-(4-oxidanylpiperidin-1-yl)-8~{H}-pyrido[4,3-d]pyrimidin-5-one |
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| 8PL | Name: | (2R)-2-(4-fluorophenyl)-2-[[(2S)-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid | Formula: | C12 H14 F N O3 S | SMILES: | C[CH](CS)C(=O)N[CH](C(O)=O)c1ccc(F)cc1 | InChi: | InChI=1S/C12H14FNO3S/c1-7(6-18)11(15)14-10(12(16)17)8-2-4-9(13)5-3-8/h2-5,7,10,18H,6H2,1H3,(H,14,15)(H,16,17)/t7-,10-/m1/s1 | Synonyms: | (R)-2-(4-fluorophenyl)-2-((S)-3-mercapto-2-methylpropanamido)acetic acid | Definition date: | 2017-08-24 | Last modified: | 2020-06-17 | Release date: | 2018-01-24 | Identifier: | (2~{R})-2-(4-fluorophenyl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]ethanoic acid |
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| 8PR | Name: | Paroxetine | Formula: | C19 H20 F N O3 | SMILES: | Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3 | InChi: | InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1 | Synonyms: | (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine | Definition date: | 2011-07-11 | Last modified: | 2020-06-17 | Release date: | 2012-09-21 | Identifier: | (3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine |
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| 8Q1 | Name: | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate | Formula: | C23 H45 N2 O8 P S | SMILES: | O=C(CCCCCCCCCCC)SCCNC(CCNC(C(C(COP(=O)(O)O)(C)C)O)=O)=O | InChi: | InChI=1S/C23H45N2O8PS/c1-4-5-6-7-8-9-10-11-12-13-20(27)35-17-16-24-19(26)14-15-25-22(29)21(28)23(2,3)18-33-34(30,31)32/h21,28H,4-18H2,1-3H3,(H,24,26)(H,25,29)(H2,30,31,32)/t21-/m0/s1 | Synonyms: | S-dodecanoyl-4'-phosphopantetheine | Definition date: | 2017-02-28 | Last modified: | 2020-06-17 | Release date: | 2017-06-21 | Identifier: | S-[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl] dodecanethioate |
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| 8QP | Name: | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | Formula: | C17 H21 N O3 | SMILES: | c1(CC)c3c(ccc1)c2CCOC(CC(=O)O)(CC)c2n3 | InChi: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m0/s1 | Synonyms: | (S)-Etodolac | Definition date: | 2017-03-02 | Last modified: | 2020-06-17 | Release date: | 2017-03-15 | Identifier: | [(1S)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
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| 8QS | Name: | [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid | Formula: | C17 H21 N O3 | SMILES: | C1COC(CC(O)=O)(CC)c2nc3c(c12)cccc3CC | InChi: | InChI=1S/C17H21NO3/c1-3-11-6-5-7-12-13-8-9-21-17(4-2,10-14(19)20)16(13)18-15(11)12/h5-7,18H,3-4,8-10H2,1-2H3,(H,19,20)/t17-/m1/s1 | Synonyms: | (R)-Etodolac | Definition date: | 2017-03-02 | Last modified: | 2020-06-17 | Release date: | 2017-03-15 | Identifier: | [(1R)-1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl]acetic acid |
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| 8QT | Name: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol | Formula: | C19 H27 N7 O | SMILES: | CC[CH](Nc1nc(NCc2cccnc2)c3ncn(C(C)C)c3n1)[CH](C)O | InChi: | InChI=1S/C19H27N7O/c1-5-15(13(4)27)23-19-24-17(21-10-14-7-6-8-20-9-14)16-18(25-19)26(11-22-16)12(2)3/h6-9,11-13,15,27H,5,10H2,1-4H3,(H2,21,23,24,25)/t13-,15+/m1/s1 | Synonyms: | CCT068127 | Definition date: | 2016-12-05 | Last modified: | 2020-06-17 | Release date: | 2017-12-20 | Identifier: | (2~{R},3~{S})-3-[[9-propan-2-yl-6-(pyridin-3-ylmethylamino)purin-2-yl]amino]pentan-2-ol |
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| 8RC | Name: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3R)-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazin
e-2-carboxamide | Formula: | C30 H42 N8 O3 | SMILES: | CCc1nc(C(N)=O)c(Nc2ccc(cc2)N3CCC(CC3)N4CCN(C)CC4)nc1O[CH]5CCN(C5)C(=O)C=C | InChi: | InChI=1S/C30H42N8O3/c1-4-25-30(41-24-12-15-38(20-24)26(39)5-2)34-29(27(33-25)28(31)40)32-21-6-8-22(9-7-21)36-13-10-23(11-14-36)37-18-16-35(3)17-19-37/h5-9,23-24H,2,4,10-20H2,1,3H3,(H2,31,40)(H,32,34)/t24-/m1/s1 | Synonyms: | Naquotinib | Definition date: | 2017-08-31 | Last modified: | 2020-06-17 | Release date: | 2018-07-11 | Identifier: | 6-ethyl-3-[[4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]amino]-5-[(3~{R})-1-prop-2-enoylpyrrolidin-3-yl]oxy-pyrazine-2-carboxamide |
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| BL4 | Name: | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one | Formula: | C18 H16 N2 O2 | SMILES: | O=C2c4c(cccc4N=C3N(c1ccccc1)CCC23O)C | InChi: | InChI=1S/C18H16N2O2/c1-12-6-5-9-14-15(12)16(21)18(22)10-11-20(17(18)19-14)13-7-3-2-4-8-13/h2-9,22H,10-11H2,1H3/t18-/m1/s1 | Synonyms: | S-3a-hydroxy-5-methyl-1-phenyl-2,3,3a,4-tetrahydro-1H-pyrrolo[2,3-b]quinolin-4-one | Definition date: | 2008-01-19 | Last modified: | 2020-06-17 | Identifier: | (3aS)-3a-hydroxy-5-methyl-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one |
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| BLQ | Name: | (3E)-3-({4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazono)-6-oxocyclohexa-1,4-diene-1-carboxylic acid | Formula: | C17 H15 N3 O6 | SMILES: | O=C2C=CC(=N/Nc1ccc(C(=O)NCCC(=O)O)cc1)C=C2C(=O)O | InChi: | InChI=1S/C17H15N3O6/c21-14-6-5-12(9-13(14)17(25)26)20-19-11-3-1-10(2-4-11)16(24)18-8-7-15(22)23/h1-6,9,19H,7-8H2,(H,18,24)(H,22,23)(H,25,26)/b20-12+ | Synonyms: | balsalazide | Definition date: | 2010-02-25 | Last modified: | 2020-06-17 | Identifier: | (3E)-3-(2-{4-[(2-carboxyethyl)carbamoyl]phenyl}hydrazinylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid |
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| BLT | Name: | 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT | Formula: | C9 H18 O9 S Se | SMILES: | [O-]S([O-])([O-])OC(CO)C(O)C[Se+]1C(CO)C(O)C(O)C1 | InChi: | InChI=1S/C9H20O9SSe/c10-1-7(18-19(15,16)17)5(12)3-20-4-6(13)9(14)8(20)2-11/h5-14H,1-4H2,(H2-,15,16,17)/p-2/t5-,6+,7+,8+,9-,20+/m0/s1 | Synonyms: | DIASTEREOMER OF SELENO-SALACINOL | Definition date: | 2004-06-22 | Last modified: | 2020-06-17 | Identifier: | ({[(1R,2R)-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydroselenophenium-1-yl]-2-hydroxy-1-(hydroxymethyl)propyl]oxy}-lambda~4~-sulfanetriyl)trioxidanide (non-preferred name) |
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| BM0 | Name: | 1-butyl-3-methyl-1H-imidazol-3-ium | Formula: | C8 H15 N2 | SMILES: | C(C)CCn1cc[n+](c1)C | InChi: | InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1 | Synonyms: | 1-butyl-3-methylimidazolium | Definition date: | 2015-07-24 | Last modified: | 2020-06-17 | Release date: | 2015-11-04 | Identifier: | 1-butyl-3-methyl-1H-imidazol-3-ium |
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| BM2 | Name: | S-(R*,R*)]-4-[AMINOIMINOMETHYL)AMINO]-N-[[1-[3-HYDROXY -2-[(2-NAPHTHALENYLSULFONYL)AMINO]-1-OXOPROPYL]-2-PYRROLIDINYL]
METHYL]BUTANAMIDE | Formula: | C23 H32 N6 O5 S | SMILES: | O=C(N1C(CNC(=O)CCCNC(=[N@H])N)CCC1)C(NS(=O)(=O)c3cc2ccccc2cc3)CO | InChi: | InChI=1S/C23H32N6O5S/c24-23(25)26-11-3-8-21(31)27-14-18-7-4-12-29(18)22(32)20(15-30)28-35(33,34)19-10-9-16-5-1-2-6-17(16)13-19/h1-2,5-6,9-10,13,18,20,28,30H,3-4,7-8,11-12,14-15H2,(H,27,31)(H4,24,25,26)/t18-,20-/m0/s1 | Synonyms: | BMS-186282 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 4-carbamimidamido-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)butanamide |
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| BM9 | Name: | [S-(R*,R*)]-1-(AMINOIMINOMETHYL)-N-[[1-[N-[(2-NAPHTHALENYLSULFONYL)-L-SERYL]-3-PYRROLIDINYL]METHYL]-3-PIPERIDENECARBOXA
MIDE | Formula: | C25 H34 N6 O5 S | SMILES: | O=C(N2C(CNC(=O)C1CCCN(C(=[N@H])N)C1)CCC2)C(NS(=O)(=O)c4cc3ccccc3cc4)CO | InChi: | InChI=1S/C25H34N6O5S/c26-25(27)30-11-3-7-19(15-30)23(33)28-14-20-8-4-12-31(20)24(34)22(16-32)29-37(35,36)21-10-9-17-5-1-2-6-18(17)13-21/h1-2,5-6,9-10,13,19-20,22,29,32H,3-4,7-8,11-12,14-16H2,(H3,26,27)(H,28,33)/t19-,20-,22-/m0/s1 | Synonyms: | BMS-189090 | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (3S)-1-carbamimidoyl-N-({(2S)-1-[N-(naphthalen-2-ylsulfonyl)-L-seryl]pyrrolidin-2-yl}methyl)piperidine-3-carboxamide |
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| BMG | Name: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth
yl-4,5-dihydro-1H-pyrrole-2-carboxylate | Formula: | C15 H20 N4 O4 S | SMILES: | O=CC(C(O)C)C3NC(C([O-])=O)=C(SC2C[n+]1cncn1C2)C3C | InChi: | InChI=1S/C15H20N4O4S/c1-8-12(11(5-20)9(2)21)17-13(15(22)23)14(8)24-10-3-18-6-16-7-19(18)4-10/h5-12,17,21H,3-4H2,1-2H3/t8-,9-,11-,12-/m1/s1 | Synonyms: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-
methyl-4,5-dihydro-1H-pyrrole-2-carboxylate | Definition date: | 2007-11-05 | Last modified: | 2020-06-17 | Identifier: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate |
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| BMH | Name: | 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM,
6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, INNER
SALT, (4R-(4ALPHA,5BETA,6BETA(R*)))- | Formula: | C15 H22 N4 O5 S | SMILES: | O=C(O)C(C(O)C)C3NC(=C(SC2C[n+]1cncn1C2)C3C)C([O-])O | InChi: | InChI=1S/C15H22N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,15,17,20,23H,3-4H2,1-2H3,(H,21,22)/t7-,8-,10-,11-,15-/m1/s1 | Synonyms: | BIAPENEM (HYDLYZED) | Definition date: | 2004-08-25 | Last modified: | 2020-06-17 | Identifier: | (S)-[(4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-4-methyl-4,5-dihydro-1H-pyrrol-2-yl](hydroxy)methanolate |
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| BOW | Name: | octyl sulfamate | Formula: | C8 H19 N O3 S | SMILES: | O=S(=O)(OCCCCCCCC)N | InChi: | InChI=1S/C8H19NO3S/c1-2-3-4-5-6-7-8-12-13(9,10)11/h2-8H2,1H3,(H2,9,10,11) | Synonyms: | n-Octyl sulfamate | Definition date: | 2009-07-20 | Last modified: | 2020-06-17 | Identifier: | octyl sulfamate |
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| BP1 | Name: | 6-BROMO-7H-PURINE | Formula: | C5 H3 Br N4 | SMILES: | Brc1ncnc2ncnc12 | InChi: | InChI=1S/C5H3BrN4/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H,7,8,9,10) | Synonyms: | BROMOPURINE | Definition date: | 2004-02-24 | Last modified: | 2020-06-17 | Identifier: | 6-bromo-7H-purine |
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| BPJ | Name: | (1R)-1,2,3,4-TETRAHYDRO-BENZO[C]PHENANTHRENE-2,3,4-TRIOL | Formula: | C18 H16 O3 | SMILES: | OC4c3c(c1c(ccc2c1cccc2)cc3)CC(O)C4O | InChi: | InChI=1S/C18H16O3/c19-15-9-14-13(17(20)18(15)21)8-7-11-6-5-10-3-1-2-4-12(10)16(11)14/h1-8,15,17-21H,9H2/t15-,17-,18-/m0/s1 | Synonyms: | 1R-TRANS-ANTI-BENZO[C]PHENANTHRENE | Definition date: | 2001-01-25 | Last modified: | 2020-06-17 | Identifier: | (2S,3S,4S)-1,2,3,4-tetrahydrobenzo[c]phenanthrene-2,3,4-triol |
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| BPL | Name: | 1-BENZO[A]PYREN-6-YL-3-METHYL-UREA | Formula: | C22 H16 N2 O | SMILES: | O=C(NC)Nc4c5c(c1ccc3c2c1c4ccc2ccc3)cccc5 | InChi: | InChI=1S/C22H16N2O/c1-23-22(25)24-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3,(H2,23,24,25) | Synonyms: | 6-[3-METHYLUREAYL]-BENZO[A]PYRENE | Definition date: | 2000-03-20 | Last modified: | 2020-06-17 | Identifier: | 1-benzo[pqr]tetraphen-6-yl-3-methylurea |
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| BPS | Name: | 1,1'-BIPHENYL-2-SULFINIC ACID | Formula: | C12 H10 O2 S | SMILES: | O=S(O)c2ccccc2c1ccccc1 | InChi: | InChI=1S/C12H10O2S/c13-15(14)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H,(H,13,14) | Synonyms: | BIPHENYL-2-SULFINIC ACID | Definition date: | 2004-10-15 | Last modified: | 2020-06-17 | Identifier: | biphenyl-2-sulfinic acid |
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| BPZ | Name: | 4,4'-cyclohexane-1,1-diyldiphenol | Formula: | C18 H20 O2 | SMILES: | Oc1ccc(cc1)C3(c2ccc(O)cc2)CCCCC3 | InChi: | InChI=1S/C18H20O2/c19-16-8-4-14(5-9-16)18(12-2-1-3-13-18)15-6-10-17(20)11-7-15/h4-11,19-20H,1-3,12-13H2 | Synonyms: | 4,4-Cyclohexylidenebisphenol, bisphenol Z | Definition date: | 2008-03-18 | Last modified: | 2020-06-17 | Identifier: | 4,4'-cyclohexane-1,1-diyldiphenol |
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| BRN | Name: | BERENIL | Formula: | C14 H15 N7 | SMILES: | N(=N/Nc1ccc(cc1)C(=[N@H])N)c2ccc(C(=[N@H])N)cc2 | InChi: | InChI=1S/C14H15N7/c15-13(16)9-1-5-11(6-2-9)19-21-20-12-7-3-10(4-8-12)14(17)18/h1-8H,(H3,15,16)(H3,17,18)(H,19,20) | Synonyms: | DIMINAZINE ACETURATE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 4-[(1E)-3-(4-carbamimidoylphenyl)triaz-1-en-1-yl]benzenecarboximidamide |
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