| 29S | Name: | Bazedoxifene | Formula: | C30 H34 N2 O3 | SMILES: | Oc1ccc(cc1)c3c(c2cc(O)ccc2n3Cc5ccc(OCCN4CCCCCC4)cc5)C | InChi: | InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3 | Synonyms: | 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol | Definition date: | 2013-09-13 | Last modified: | 2020-06-17 | Release date: | 2016-01-13 | Identifier: | 1-{4-[2-(azepan-1-yl)ethoxy]benzyl}-2-(4-hydroxyphenyl)-3-methyl-1H-indol-5-ol |
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| 29W | Name: | (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid | Formula: | C19 H18 N2 O6 S | SMILES: | O=S(=O)(c1ccc(cc1)C)NC(=O)c3cc2cc(OC)ccc2n3CC(=O)O | InChi: | InChI=1S/C19H18N2O6S/c1-12-3-6-15(7-4-12)28(25,26)20-19(24)17-10-13-9-14(27-2)5-8-16(13)21(17)11-18(22)23/h3-10H,11H2,1-2H3,(H,20,24)(H,22,23) | Synonyms: | 2-(5-METHOXY-2-(TOSYLCARBAMOYL)-1H-INDOL-1-YL)ACETIC ACID | Definition date: | 2013-09-16 | Last modified: | 2020-06-17 | Release date: | 2014-08-27 | Identifier: | (5-methoxy-2-{[(4-methylphenyl)sulfonyl]carbamoyl}-1H-indol-1-yl)acetic acid |
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| 2BA | Name: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8
]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide | Formula: | C20 H24 N10 O12 P2 | SMILES: | O=P5(OCC7OC(n1c2ncnc(N)c2nc1)C(O)C7OP(=O)(O)OCC6OC(n3c4ncnc(N)c4nc3)C(O)C6O5)O | InChi: | InChI=1S/C20H24N10O12P2/c21-15-9-17(25-3-23-15)29(5-27-9)19-11(31)13-7(39-19)1-37-43(33,34)42-14-8(2-38-44(35,36)41-13)40-20(12(14)32)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-32H,1-2H2,(H,33,34)(H,35,36)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | Synonyms: | bis-(3',5')-cyclic-dimeric-Adenosine-monophosphate | Definition date: | 2008-01-29 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide |
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| 2BQ | Name: | 2-hydroxysaclofen | Formula: | C9 H12 Cl N O4 S | SMILES: | Clc1ccc(cc1)C(O)(CN)CS(=O)(=O)O | InChi: | InChI=1S/C9H12ClNO4S/c10-8-3-1-7(2-4-8)9(12,5-11)6-16(13,14)15/h1-4,12H,5-6,11H2,(H,13,14,15)/t9-/m0/s1 | Synonyms: | (2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | (2S)-3-amino-2-(4-chlorophenyl)-2-hydroxypropane-1-sulfonic acid |
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| 2BR | Name: | 2-BROMOPHENOL | Formula: | C6 H5 Br O | SMILES: | Brc1ccccc1O | InChi: | InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H | Synonyms: | BROMOPHENOL | Definition date: | 2005-08-03 | Last modified: | 2020-06-17 | Identifier: | 2-bromophenol |
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| 2BW | Name: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid | Formula: | C8 H20 N O4 P | SMILES: | O=P(O)(CCCN)C(OCC)OCC | InChi: | InChI=1S/C8H20NO4P/c1-3-12-8(13-4-2)14(10,11)7-5-6-9/h8H,3-7,9H2,1-2H3,(H,10,11) | Synonyms: | CGP 35348 | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | (S)-(3-aminopropyl)(diethoxymethyl)phosphinic acid |
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| 2BY | Name: | phaclofen | Formula: | C9 H13 Cl N O3 P | SMILES: | Clc1ccc(cc1)C(CP(=O)(O)O)CN | InChi: | InChI=1S/C9H13ClNO3P/c10-9-3-1-7(2-4-9)8(5-11)6-15(12,13)14/h1-4,8H,5-6,11H2,(H2,12,13,14)/t8-/m1/s1 | Synonyms: | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | [(2R)-3-amino-2-(4-chlorophenyl)propyl]phosphonic acid |
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| 2C0 | Name: | baclofen | Formula: | C10 H12 Cl N O2 | SMILES: | Clc1ccc(cc1)C(CN)CC(=O)O | InChi: | InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)/t8-/m0/s1 | Synonyms: | (3R)-4-amino-3-(4-chlorophenyl)butanoic acid | Definition date: | 2013-09-19 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | (3R)-4-amino-3-(4-chlorophenyl)butanoic acid |
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| 2CC | Name: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid | Formula: | C22 H13 Cl2 N3 O4 | SMILES: | Clc1cccc2c1ncc2c5c(C(=O)O)nc(C(=O)O)c5c4c3cccc(Cl)c3nc4 | InChi: | InChI=1S/C22H13Cl2N3O4/c23-13-5-1-3-9-11(7-25-17(9)13)15-16(20(22(30)31)27-19(15)21(28)29)12-8-26-18-10(12)4-2-6-14(18)24/h1-8,25-27H,(H,28,29)(H,30,31) | Synonyms: | 11,11'-Dichlorochromopyrrolic Acid | Definition date: | 2009-04-13 | Last modified: | 2020-06-17 | Identifier: | 3,4-bis(7-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-dicarboxylic acid |
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| 2CU | Name: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide | Formula: | C19 H24 Cl N5 O3 S | SMILES: | Clc2c(c3c(nc2OCC(=O)N1CCN(C)CC1)sc(c3N)C(=O)NC4CC4)C | InChi: | InChI=1S/C19H24ClN5O3S/c1-10-13-15(21)16(17(27)22-11-3-4-11)29-19(13)23-18(14(10)20)28-9-12(26)25-7-5-24(2)6-8-25/h11H,3-9,21H2,1-2H3,(H,22,27) | Synonyms: | LY2119620 positive allosteric modulator of M2/M4 receptor | Definition date: | 2013-09-20 | Last modified: | 2020-06-17 | Release date: | 2013-11-27 | Identifier: | 3-amino-5-chloro-N-cyclopropyl-4-methyl-6-[2-(4-methylpiperazin-1-yl)-2-oxoethoxy]thieno[2,3-b]pyridine-2-carboxamide |
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| 2DI | Name: | 9-[(2R,5R)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-2-YL]-1,9-DIHYDRO-6H-PURIN-6-ONE | Formula: | C10 H12 N4 O3 | SMILES: | O=C1c2ncn(c2N=CN1)C3OC(CC3)CO | InChi: | InChI=1S/C10H12N4O3/c15-3-6-1-2-7(17-6)14-5-13-8-9(14)11-4-12-10(8)16/h4-7,15H,1-3H2,(H,11,12,16)/t6-,7+/m0/s1 | Synonyms: | 2',3'-DIDEOXYINOSINE | Definition date: | 2003-11-11 | Last modified: | 2020-06-17 | Identifier: | 9-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6H-purin-6-one |
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| CR4 | Name: | 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}BENZENOLATE | Formula: | C14 H12 N4 O | SMILES: | [O-]c3ccccc3c2nc1cc(ccc1n2)C(=[NH2+])N | InChi: | InChI=1S/C14H12N4O/c15-13(16)8-5-6-10-11(7-8)18-14(17-10)9-3-1-2-4-12(9)19/h1-7,19H,(H3,15,16)(H,17,18) | Synonyms: | CRA_1144 | Definition date: | 2003-03-14 | Last modified: | 2020-06-17 | Identifier: | 2-{5-[amino(iminio)methyl]-1H-benzimidazol-2-yl}phenolate |
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| CRJ | Name: | N-(1-CYANOCYCLOPROPYL)-3-({[(2S)-5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-FLUOROPHENYL)ETH
YL]-L-ALANINAMIDE | Formula: | C20 H22 F4 N4 O4 S | SMILES: | O=C3NC(CS(=O)(=O)CC(C(=O)NC1(C#N)CC1)NC(c2ccc(F)cc2)C(F)(F)F)CC3 | InChi: | InChI=1S/C20H22F4N4O4S/c21-13-3-1-12(2-4-13)17(20(22,23)24)27-15(18(30)28-19(11-25)7-8-19)10-33(31,32)9-14-5-6-16(29)26-14/h1-4,14-15,17,27H,5-10H2,(H,26,29)(H,28,30)/t14-,15-,17-/m0/s1 | Synonyms: | N-(1-CYANO-CYCLOPROPYL)-3-(5-OXO-PYRROLIDIN-2-YLMETHANESULFONYL)-2-[2,2,2-TR
IFLUORO-1-(4-FLUORO-PHENYL)-ETHYLAMINO]-PROPIONAMIDE | Definition date: | 2006-01-25 | Last modified: | 2020-06-17 | Identifier: | N-(1-cyanocyclopropyl)-3-({[(2S)-5-oxopyrrolidin-2-yl]methyl}sulfonyl)-N~2~-[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]-L-alaninamide |
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| CRR | Name: | 3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-2,5-DICARBOXYLIC ACID | Formula: | C22 H15 N3 O4 | SMILES: | O=C(O)c5c(c2c1ccccc1nc2)c(c4c3ccccc3nc4)c(C(=O)O)n5 | InChi: | InChI=1S/C22H15N3O4/c26-21(27)19-17(13-9-23-15-7-3-1-5-11(13)15)18(20(25-19)22(28)29)14-10-24-16-8-4-2-6-12(14)16/h1-10,23-25H,(H,26,27)(H,28,29) | Synonyms: | CHROMOPYRROLIC ACID | Definition date: | 2007-06-07 | Last modified: | 2020-06-17 | Identifier: | 3,4-di-1H-indol-3-yl-1H-pyrrole-2,5-dicarboxylic acid |
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| CRZ | Name: | 4-(9H-CARBAZOL-9-YL)BUTANOIC ACID | Formula: | C16 H15 N O2 | SMILES: | O=C(O)CCCn3c1ccccc1c2c3cccc2 | InChi: | InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19) | Synonyms: | CARBAZOLE BUTANOIC ACID | Definition date: | 2004-06-22 | Last modified: | 2020-06-17 | Identifier: | 4-(9H-carbazol-9-yl)butanoic acid |
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| CS4 | Name: | S-[3-(3,4-DICHLOROPHENYL)-3-OXOPROPYL]-L-CYSTEINE | Formula: | C12 H13 Cl2 N O3 S | SMILES: | Clc1ccc(C(=O)CCSCC(C(=O)O)N)cc1Cl | InChi: | InChI=1S/C12H13Cl2NO3S/c13-8-2-1-7(5-9(8)14)11(16)3-4-19-6-10(15)12(17)18/h1-2,5,10H,3-4,6,15H2,(H,17,18)/t10-/m0/s1 | Synonyms: | (R)-2-AMINO-3-(3-(3,4-DICHLOROPHENYL)-3-OXOPROPYLTHIO)PROPANOIC ACID | Definition date: | 2007-02-07 | Last modified: | 2020-06-17 | Identifier: | S-[3-(3,4-dichlorophenyl)-3-oxopropyl]-L-cysteine |
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| CSF | Name: | CYTIDINE-5'-MONOPHOSPHATE-3-FLUORO-N-ACETYL-NEURAMINIC ACID | Formula: | C20 H30 F N4 O16 P | SMILES: | FC3C(O)C(NC(=O)C)C(OC3(OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O)C(=O)O)C(O)C(O)CO | InChi: | InChI=1S/C20H30FN4O16P/c1-6(27)23-10-13(31)16(21)20(18(33)34,40-15(10)11(29)7(28)4-26)41-42(36,37)38-5-8-12(30)14(32)17(39-8)25-3-2-9(22)24-19(25)35/h2-3,7-8,10-17,26,28-32H,4-5H2,1H3,(H,23,27)(H,33,34)(H,36,37)(H2,22,24,35)/t7-,8-,10-,11-,12-,13-,14-,15-,16-,17-,20-/m1/s1 | Synonyms: | CMP-3FNEUAC | Definition date: | 2003-12-04 | Last modified: | 2020-06-17 | Identifier: | (2S,3R,4R,5R,6R)-5-(acetylamino)-2-{[(R)-{[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}-3-fluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name) |
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| CSG | Name: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) | Formula: | C9 H17 N4 O13 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(N)C2O | InChi: | InChI=1S/C9H17N4O13P3/c10-5-1-2-13(9(15)12-5)8-6(11)7(14)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,14H,3,11H2,(H,19,20)(H,21,22)(H2,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | Synonyms: | 2'-amino-2'-deoxycytidine-5'-triphosphate | Definition date: | 2009-04-23 | Last modified: | 2020-06-17 | Identifier: | 2'-amino-2'-deoxycytidine 5'-(tetrahydrogen triphosphate) |
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| CT8 | Name: | (5Z)-5-(3-BROMOCYCLOHEXA-2,5-DIEN-1-YLIDENE)-N-(PYRIDIN-4-YLMETHYL)-1,5-DIHYDRO[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7-AMINE | Formula: | C17 H14 Br N6 | SMILES: | Brc4cccc(c1nc3ncn[n+]3c(c1)NCc2ccncc2)c4 | InChi: | InChI=1S/C17H13BrN6/c18-14-3-1-2-13(8-14)15-9-16(24-17(23-15)21-11-22-24)20-10-12-4-6-19-7-5-12/h1-9,11H,10H2,(H,20,21,22,23)/p+1 | Synonyms: | TRIAZOLOPYRIMIDINE | Definition date: | 2005-11-08 | Last modified: | 2020-06-17 | Identifier: | 5-(3-bromophenyl)-7-[(pyridin-4-ylmethyl)amino]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium |
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| CTI | Name: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium | Formula: | C21 H18 N O4 | SMILES: | O1c3c(OC1)cc2ccc4c5c(c[n+](c4c2c3)C)c(OC)c(OC)cc5 | InChi: | InChI=1S/C21H18NO4/c1-22-10-16-13(6-7-17(23-2)21(16)24-3)14-5-4-12-8-18-19(26-11-25-18)9-15(12)20(14)22/h4-10H,11H2,1-3H3/q+1 | Synonyms: | chelerythrine | Definition date: | 2010-12-21 | Last modified: | 2020-06-17 | Identifier: | 1,2-dimethoxy-12-methyl[1,3]benzodioxolo[5,6-c]phenanthridin-12-ium |
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| CUE | Name: | Coumestrol | Formula: | C15 H8 O5 | SMILES: | O=C3Oc4cc(O)ccc4c2oc1c(ccc(O)c1)c23 | InChi: | InChI=1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H | Synonyms: | 3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one | Definition date: | 2009-09-29 | Last modified: | 2020-06-17 | Identifier: | 3,9-dihydroxy-6H-[1]benzofuro[3,2-c]chromen-6-one |
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| CV1 | Name: | (2R,3R,4S,5R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,14,15-tetrahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8
,10-diphosphapentacyclo[18.3.1.1^2,5^.1^13,16^.0^17,21^]hexacosa-1(24),18,20,22-tetraene-8,10-diolate 8,10-dioxide | Formula: | C15 H21 Br N5 O13 P2 | SMILES: | Brc2nc1c(N)[n+]4cnc1n2C3OC(C(O)C3O)COP(=O)(OP(=O)(O)OCC5OC4C(O)C5O)O | InChi: | InChI=1S/C15H20BrN5O13P2/c16-15-19-6-11(17)20-3-18-12(6)21(15)14-10(25)8(23)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(22)9(24)13(20)32-4/h3-5,7-10,13-14,17,22-25H,1-2H2,(H2,26,27,28,29)/p-1/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1 | Synonyms: | 8-BROMO-CYCLIC-ADP-RIBOSE | Definition date: | 2011-09-07 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,4S,5R,8R,10R,13R,14S,15R,16R)-24-amino-18-bromo-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-17,19,22-triaza-1-azonia-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-1(24),18,20,22-tetraene 8,10-dioxide (non-preferred name) |
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| CVU | Name: | L-Fuculose open form | Formula: | C6 H12 O5 | SMILES: | O=C(C(O)C(O)C(O)C)CO | InChi: | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3,5-8,10-11H,2H2,1H3/t3-,5+,6-/m0/s1 | Synonyms: | 6-deoxy-L-tagatose | Definition date: | 2013-08-16 | Last modified: | 2020-06-17 | Release date: | 2013-12-11 | Identifier: | 6-deoxy-L-tagatose |
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| CWH | Name: | [(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimeth
yl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate | Formula: | C27 H49 N O8 | SMILES: | C[CH](CCNC(=O)[CH](C)O)CC[CH](O)CC[CH](C)CC[CH](C[CH]1O[CH](O)[CH](C)C(=O)[CH]1C)OC(C)=O | InChi: | InChI=1S/C27H49NO8/c1-16(7-10-22(31)11-8-17(2)13-14-28-26(33)20(5)29)9-12-23(35-21(6)30)15-24-18(3)25(32)19(4)27(34)36-24/h16-20,22-24,27,29,31,34H,7-15H2,1-6H3,(H,28,33)/t16-,17+,18-,19+,20+,22+,23+,24-,27+/m1/s1 | Synonyms: | LC-KA05 | Definition date: | 2017-12-11 | Last modified: | 2020-06-17 | Release date: | 2018-09-19 | Identifier: | [(2~{S},5~{R},8~{S},11~{S})-1-[(2~{R},3~{R},5~{R},6~{S})-3,5-dimethyl-6-oxidanyl-4-oxidanylidene-oxan-2-yl]-5,11-dimethyl-8-oxidanyl-13-[[(2~{S})-2-oxidanylpropanoyl]amino]tridecan-2-yl] ethanoate |
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| CXR | Name: | CYCLIC ADENOSINE DIPHOSPHATE-RIBOSE | Formula: | C15 H21 N5 O13 P2 | SMILES: | O=P4(OCC5OC(n1c2N=CN(C(=[N@H])c2nc1)C3OC(C(O)C3O)COP(=O)(O)O4)C(O)C5O)O | InChi: | InChI=1S/C15H21N5O13P2/c16-12-7-13-18-4-19(12)14-10(23)8(21)5(31-14)1-29-34(25,26)33-35(27,28)30-2-6-9(22)11(24)15(32-6)20(13)3-17-7/h3-6,8-11,14-16,21-24H,1-2H2,(H,25,26)(H,27,28)/b16-12+/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1 | Synonyms: | CYCLIC ADP-RIBOSE | Definition date: | 2005-10-05 | Last modified: | 2020-06-17 | Identifier: | (2R,3R,4S,5R,8S,10R,13R,14S,15R,16R,24E)-24-imino-7,9,11,25,26-pentaoxa-1,17,19,22-tetraaza-8,10-diphosphapentacyclo[18.3.1.1~2,5~.1~13,16~.0~17,21~]hexacosa-18,20,22-triene-3,4,8,10,14,15-hexol 8,10-dioxide (non-preferred name) |
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