 | | MGZ | | Name: | (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid | | Formula: | C15 H10 Cl F3 O3 | | SMILES: | Clc1ccc(cc1)C(Oc2cc(ccc2)C(F)(F)F)C(=O)O | | InChi: | InChI=1S/C15H10ClF3O3/c16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19/h1-8,13H,(H,20,21)/t13-/m1/s1 | | Synonyms: | Metaglidasen | | Definition date: | 2014-04-08 | | Last modified: | 2021-03-01 | | Release date: | 2015-02-11 | | Identifier: | (2R)-(4-chlorophenyl)[3-(trifluoromethyl)phenoxy]ethanoic acid |
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 | | 1WF | | Name: | 4-[(2S)-2-(methylamino)propyl]phenol | | Formula: | C10 H15 N O | | SMILES: | Oc1ccc(cc1)CC(NC)C | | InChi: | InChI=1S/C10H15NO/c1-8(11-2)7-9-3-5-10(12)6-4-9/h3-6,8,11-12H,7H2,1-2H3/t8-/m0/s1 | | Synonyms: | 4-Hydroxymethamphetamine | | Definition date: | 2013-07-05 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-11 | | Identifier: | 4-[(2S)-2-(methylamino)propyl]phenol |
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 | | 1WO | | Name: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione | | Formula: | C20 H26 O3 | | SMILES: | O=C2C(=CC1=CC(=O)C3C(C1=C2O)(CCCC3(C)C)C)C(C)C | | InChi: | InChI=1S/C20H26O3/c1-11(2)13-9-12-10-14(21)18-19(3,4)7-6-8-20(18,5)15(12)17(23)16(13)22/h9-11,18,23H,6-8H2,1-5H3/t18-,20+/m0/s1 | | Synonyms: | taxodione | | Definition date: | 2014-02-24 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-02 | | Identifier: | (5beta)-11-hydroxyabieta-7,9(11),13-triene-6,12-dione |
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 | | MHA | | Name: | (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID | | Formula: | C6 H10 N2 O5 | | SMILES: | O=C(O)CN(CC(=O)N)CC(=O)O | | InChi: | InChI=1S/C6H10N2O5/c7-4(9)1-8(2-5(10)11)3-6(12)13/h1-3H2,(H2,7,9)(H,10,11)(H,12,13) | | Synonyms: | N-(2-ACETAMIDO)IMINODIACETIC ACID | | Definition date: | 2002-06-18 | | Last modified: | 2021-03-01 | | Identifier: | 2,2'-[(2-amino-2-oxoethyl)imino]diacetic acid |
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 | | MIU | | Name: | N-{(1S)-1-{[4-(3-AMINOPROPYL)PIPERAZIN-1-YL]CARBONYL}-4-[(DIAMINOMETHYLENE)AMINO]BUTYL}-3-(TRIFLUOROMETHYL)BENZENESULFONAMIDE | | Formula: | C20 H32 F3 N7 O3 S | | SMILES: | FC(F)(F)c1cc(ccc1)S(=O)(=O)NC(C(=O)N2CCN(CCCN)CC2)CCC/N=C(N)N | | InChi: | InChI=1S/C20H32F3N7O3S/c21-20(22,23)15-4-1-5-16(14-15)34(32,33)28-17(6-2-8-27-19(25)26)18(31)30-12-10-29(11-13-30)9-3-7-24/h1,4-5,14,17,28H,2-3,6-13,24H2,(H4,25,26,27)/t17-/m0/s1 | | Synonyms: | L-ARGININE TEMPLATE INHIBITOR CS107 | | Definition date: | 2004-09-02 | | Last modified: | 2021-03-01 | | Identifier: | N-{(2S)-1-[4-(3-aminopropyl)piperazin-1-yl]-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-3-(trifluoromethyl)benzenesulfonamide |
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 | | 1YN | | Name: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one | | Formula: | C35 H38 Cl2 N8 O4 | | SMILES: | O=C1N(N=CN1c2ccc(cc2)N7CCN(c6ccc(OCC3OC(OC3)(c4ccc(Cl)cc4Cl)Cn5ncnc5)cc6)CC7)C(C)CC | | InChi: | InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25-,31+,35+/m1/s1 | | Synonyms: | Itraconazole | | Definition date: | 2013-08-05 | | Last modified: | 2021-03-01 | | Release date: | 2014-01-29 | | Identifier: | 2-[(2R)-butan-2-yl]-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazin-1-yl]phenyl}-2,4-dihydro-3H-1,2,4-triazol-3-one |
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 | | 0UT | | Name: | hydroxy(diphenyl)acetic acid | | Formula: | C14 H12 O3 | | SMILES: | O=C(O)C(O)(c1ccccc1)c2ccccc2 | | InChi: | InChI=1S/C14H12O3/c15-13(16)14(17,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,17H,(H,15,16) | | Synonyms: | Benzillic acid | | Definition date: | 2012-06-22 | | Last modified: | 2021-03-01 | | Release date: | 2013-10-30 | | Identifier: | hydroxy(diphenyl)acetic acid |
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 | | 0V4 | | Name: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside | | Formula: | C27 H44 O8 | | SMILES: | O(C3C1=C(C(C)C)CCC1(C=C2C(COC)CCC2C(C3O)C)C)C4OC(C(O)C(O)C4O)CO | | InChi: | InChI=1S/C27H44O8/c1-13(2)16-8-9-27(4)10-18-15(12-33-5)6-7-17(18)14(3)21(29)25(20(16)27)35-26-24(32)23(31)22(30)19(11-28)34-26/h10,13-15,17,19,21-26,28-32H,6-9,11-12H2,1-5H3/b18-10-/t14-,15-,17+,19-,21-,22-,23+,24-,25-,26-,27-/m1/s1 | | Synonyms: | 16-O-Me-Fusicoccin H | | Definition date: | 2012-06-28 | | Last modified: | 2021-03-01 | | Release date: | 2013-05-08 | | Identifier: | (4R,5R,6R,6aS,9S,9aE,10aR)-5-hydroxy-9-(methoxymethyl)-6,10a-dimethyl-3-(propan-2-yl)-1,2,4,5,6,6a,7,8,9,10a-decahydrodicyclopenta[a,d][8]annulen-4-yl alpha-D-glucopyranoside |
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 | | MKS | | Name: | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one | | Formula: | C24 H26 O6 | | SMILES: | CC(=C/Cc3c2C(c1c(c(CC=C(C)C)c(O)cc1Oc2cc(O)c3OC)O)=O)C | | InChi: | InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | | Synonyms: | alpha-Mangostin | | Definition date: | 2015-02-26 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-09 | | Identifier: | 1,3,6-trihydroxy-7-methoxy-2,8-bis(3-methylbut-2-en-1-yl)-9H-xanthen-9-one |
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 | | MKU | | Name: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one | | Formula: | C24 H26 O6 | | SMILES: | CC(=C/Cc4c3C(c2c(c1CCC(C)(C)Oc1cc2Oc3cc(O)c4OC)O)=O)C | | InChi: | InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3 | | Synonyms: | 3-isomangostin | | Definition date: | 2015-03-02 | | Last modified: | 2021-03-01 | | Release date: | 2015-09-09 | | Identifier: | 5,9-dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H,6H-pyrano[3,2-b]xanthen-6-one |
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 | | 0WM | | Name: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide | | Formula: | C24 H25 Cl F N5 O3 | | SMILES: | Fc1ccc(cc1Cl)Nc4ncnc3cc(OC2CCOC2)c(cc34)NC(=O)/C=C/CN(C)C | | InChi: | InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/b4-3+/t16-/m0/s1 | | Synonyms: | Afatinib | | Definition date: | 2012-07-26 | | Last modified: | 2021-03-01 | | Release date: | 2012-08-24 | | Identifier: | (2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-7-[(3S)-tetrahydrofuran-3-yloxy]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
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 | | MM6 | | Name: | NICKEL(II)(1,4,8,11-TETRAAZACYCLOTETRADECANE) | | Formula: | C10 H20 N4 Ni | | SMILES: | N12CCCN3CCN4CCCN(CC1)[Ni]234 | | InChi: | InChI=1S/C10H20N4.Ni/c1-3-11-7-9-13-5-2-6-14-10-8-12-4-1 | | Synonyms: | NICKEL(II)(CYCLAM) | | Definition date: | 2006-06-19 | | Last modified: | 2021-03-01 | | Identifier: | [1,4,8,11-tetraazacyclotetradecanato(4-)-kappa~4~N~1~,N~4~,N~8~,N~11~]nickel |
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 | | MML | | Name: | 1-methyl-4-(1-methylethyl)benzene | | Formula: | C10 H14 | | SMILES: | c1cc(ccc1C(C)C)C | | InChi: | InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3 | | Synonyms: | p-cymene | | Definition date: | 2010-05-06 | | Last modified: | 2021-03-01 | | Identifier: | 1-methyl-4-(propan-2-yl)benzene |
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 | | 0XE | | Name: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid | | Formula: | C21 H18 O11 | | SMILES: | O=C(O)C4OC(Oc3c(O)c(O)c2c(OC(c1ccccc1)=CC2=O)c3)C(O)C(O)C4O | | InChi: | InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1 | | Synonyms: | Baicalin | | Definition date: | 2012-09-14 | | Last modified: | 2021-03-01 | | Release date: | 2012-11-23 | | Identifier: | 5,6-dihydroxy-4-oxo-2-phenyl-4H-chromen-7-yl beta-D-glucopyranosiduronic acid |
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 | | 0XR | | Name: | ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate | | Formula: | C11 H12 O4 | | SMILES: | O=C(OCC)C=Cc1cc(O)c(O)cc1 | | InChi: | InChI=1S/C11H12O4/c1-2-15-11(14)6-4-8-3-5-9(12)10(13)7-8/h3-7,12-13H,2H2,1H3/b6-4+ | | Synonyms: | ethyl caffeate | | Definition date: | 2012-08-31 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-19 | | Identifier: | ethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
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 | | MNN | | Name: | (S)-MANDELIC ACID NITRILE | | Formula: | C8 H7 N O | | SMILES: | N#CC(O)c1ccccc1 | | InChi: | InChI=1S/C8H7NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5,8,10H/t8-/m1/s1 | | Synonyms: | (S)-HYDROXY(PHENYL)ACETONITRILE | | Definition date: | 2005-01-19 | | Last modified: | 2021-03-01 | | Identifier: | (2S)-hydroxy(phenyl)ethanenitrile |
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 | | MNT | | Name: | 2'(3')-O-N-METHYLANTHRANILOYL-ADENOSINE-5'-DIPHOSPHATE | | Formula: | C18 H22 N6 O10 P2 | | SMILES: | O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)c3ccccc3NC | | InChi: | InChI=1S/C18H22N6O10P2/c1-20-11-5-3-2-4-10(11)18(25)33-12-6-14(24-9-23-15-16(19)21-8-22-17(15)24)32-13(12)7-31-36(29,30)34-35(26,27)28/h2-5,8-9,12-14,20H,6-7H2,1H3,(H,29,30)(H2,19,21,22)(H2,26,27,28)/t12-,13+,14+/m0/s1 | | Synonyms: | MANT-ADP | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 2'-deoxy-3'-O-{[2-(methylamino)phenyl]carbonyl}adenosine 5'-(trihydrogen diphosphate) |
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 | | 0YR | | Name: | (2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamide | | Formula: | C5 H11 N O6 | | SMILES: | O=C(NO)C(O)C(O)C(O)CO | | InChi: | InChI=1S/C5H11NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10,12H,1H2,(H,6,11)/t2-,3-,4-/m1/s1 | | Synonyms: | D-ribonohydroxamate | | Definition date: | 2012-09-17 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-26 | | Identifier: | (2R,3R,4R)-N,2,3,4,5-pentahydroxypentanamide (non-preferred name) |
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 | | 0YS | | Name: | (5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline | | Formula: | C18 H21 Cl2 N3 O9 | | SMILES: | O=C(O)C(N)C(O)C2(C(=O)O)NC(CC(NC(=O)c1cc(Cl)c(O)c(Cl)c1)C(=O)O)CC2 | | InChi: | InChI=1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1 | | Synonyms: | (-)-kaitocephalin | | Definition date: | 2012-09-17 | | Last modified: | 2021-03-01 | | Release date: | 2012-10-12 | | Identifier: | (5R)-2-[(1S,2R)-2-amino-2-carboxy-1-hydroxyethyl]-5-{(2S)-2-carboxy-2-[(3,5-dichloro-4-hydroxybenzoyl)amino]ethyl}-L-proline |
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 | | 0ZI | | Name: | amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium | | Formula: | C25 H39 N6 O3 S | | SMILES: | O=C(N1CCC(CC)CC1)C(NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C25H38N6O3S/c1-4-18-13-16-31(17-14-18)24(32)21(10-7-15-28-25(26)27)29-35(33,34)23-12-6-8-19-20(23)9-5-11-22(19)30(2)3/h5-6,8-9,11-12,18,21,29H,4,7,10,13-17H2,1-3H3,(H4,26,27,28)/p+1/t21-/m0/s1 | | Synonyms: | DAPA | | Definition date: | 2008-08-05 | | Last modified: | 2021-03-01 | | Identifier: | amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-(4-ethylpiperidin-1-yl)-5-oxopentyl]amino}methaniminium |
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 | | 10B | | Name: | N-2-(biphenyl-4-ylsulfonyl)-N-2-(isopropyloxy)-acetohydroxamic acid | | Formula: | C17 H20 N2 O5 S | | SMILES: | O=S(=O)(N(OC(C)C)CC(=O)NO)c2ccc(c1ccccc1)cc2 | | InChi: | InChI=1S/C17H20N2O5S/c1-13(2)24-19(12-17(20)18-21)25(22,23)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,21H,12H2,1-2H3,(H,18,20) | | Synonyms: | N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide | | Definition date: | 2012-09-18 | | Last modified: | 2021-03-01 | | Release date: | 2013-04-24 | | Identifier: | N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(propan-2-yloxy)glycinamide |
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 | | 10T | | Name: | 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxic acid | | Formula: | C19 H24 N2 O2 | | SMILES: | O=C(O)c1c(nc(c(c1c2ccc(cc2)C)CN)CC(C)C)C | | InChi: | InChI=1S/C19H24N2O2/c1-11(2)9-16-15(10-20)18(14-7-5-12(3)6-8-14)17(19(22)23)13(4)21-16/h5-8,11H,9-10,20H2,1-4H3,(H,22,23) | | Synonyms: | TAK-986 | | Definition date: | 2010-08-06 | | Last modified: | 2021-03-01 | | Identifier: | 5-(aminomethyl)-2-methyl-4-(4-methylphenyl)-6-(2-methylpropyl)pyridine-3-carboxylic acid |
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 | | MQA | | Name: | [(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate | | Formula: | C16 H19 N3 O6 | | SMILES: | O=C1C2=C(C(=O)C(OC)=C1C)C(C4(OC)N2CC3NC34)COC(=O)N | | InChi: | InChI=1S/C16H19N3O6/c1-6-11(20)10-9(12(21)13(6)23-2)7(5-25-15(17)22)16(24-3)14-8(18-14)4-19(10)16/h7-8,14,18H,4-5H2,1-3H3,(H2,17,22)/t7-,8+,14+,16-/m1/s1 | | Synonyms: | Mitomycin A | | Definition date: | 2009-04-06 | | Last modified: | 2021-03-01 | | Identifier: | [(1aS,8S,8aR,8bS)-6,8a-dimethoxy-5-methyl-4,7-dioxo-1,1a,2,4,7,8,8a,8b-octahydroazireno[2',3':3,4]pyrrolo[1,2-a]indol-8-yl]methyl carbamate |
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 | | 11X | | Name: | N-(pyridin-3-ylmethyl)aniline | | Formula: | C12 H12 N2 | | SMILES: | n1cccc(c1)CNc2ccccc2 | | InChi: | InChI=1S/C12H12N2/c1-2-6-12(7-3-1)14-10-11-5-4-8-13-9-11/h1-9,14H,10H2 | | Synonyms: | PHENYL-PYRIDIN-3-YLMETHYL-AMINE | | Definition date: | 2008-09-18 | | Last modified: | 2021-03-01 | | Identifier: | N-(pyridin-3-ylmethyl)aniline |
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 | | MRI | | Name: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one | | Formula: | C15 H10 O7 | | SMILES: | Oc1ccc(c(O)c1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2 | | InChi: | InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H | | Synonyms: | Morin | | Definition date: | 2015-06-17 | | Last modified: | 2021-03-01 | | Release date: | 2015-10-07 | | Identifier: | 2-[2,4-bis(oxidanyl)phenyl]-3,5,7-tris(oxidanyl)chromen-4-one |
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