 | | 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 |
|
 | | Z81 | | Name: | (5S)-2-amino-5-(2',5'-difluorobiphenyl-3-yl)-3-methyl-5-pyridin-4-yl-3,5-dihydro-4H-imidazol-4-one | | Formula: | C21 H16 F2 N4 O | | SMILES: | CN1C(=N[C](C1=O)(c2ccncc2)c3cccc(c3)c4cc(F)ccc4F)N | | InChi: | InChI=1S/C21H16F2N4O/c1-27-19(28)21(26-20(27)24,14-7-9-25-10-8-14)15-4-2-3-13(11-15)17-12-16(22)5-6-18(17)23/h2-12H,1H3,(H2,24,26)/t21-/m1/s1 | | Synonyms: | 4-[3-OXO-3-(5,5,8,8-TETRAMETHYL-5,6,7,8-TETRAHYDRO-NAPHTHALEN-2-YL)-PROPENYL]-BENZOIC ACID | | Definition date: | 2010-02-05 | | Last modified: | 2020-06-17 | | Identifier: | (5S)-2-azanyl-5-[3-(2,5-difluorophenyl)phenyl]-3-methyl-5-pyridin-4-yl-imidazol-4-one |
|
 | | HIW | | Name: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-ca
rboxylic acid | | Formula: | C12 H19 N3 O5 S | | SMILES: | O=C(O)C1=NC(CC1SCCN[C@H]=N)C(C(O)=O)C(O)C | | InChi: | InChI=1S/C12H19N3O5S/c1-6(16)9(11(17)18)7-4-8(10(15-7)12(19)20)21-3-2-14-5-13/h5-9,16H,2-4H2,1H3,(H2,13,14)(H,17,18)(H,19,20)/t6-,7-,8+,9-/m1/s1 | | Synonyms: | Hydrolyzed Imipenem | | Definition date: | 2015-12-24 | | Last modified: | 2020-06-17 | | Release date: | 2016-05-11 | | Identifier: | (2R,4S)-2-[(1S,2R)-1-carboxy-2-hydroxypropyl]-4-[(2-{[(Z)-iminomethyl]amino}ethyl)sulfanyl]-3,4-dihydro-2H-pyrrole-5-carboxylic acid |
|
 | | Z89 | | Name: | (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid | | Formula: | C15 H9 Br N2 O6 S2 | | SMILES: | OC(=O)C[CH](N1C(=S)SC(C1=O)=C2C(=O)Nc3ccc(Br)cc23)C(O)=O | | InChi: | InChI=1S/C15H9BrN2O6S2/c16-5-1-2-7-6(3-5)10(12(21)17-7)11-13(22)18(15(25)26-11)8(14(23)24)4-9(19)20/h1-3,8H,4H2,(H,17,21)(H,19,20)(H,23,24)/b11-10-/t8-/m1/s1 | | Synonyms: | N-[(1S)-2-AMINO-1-(2,4-DICHLOROBENZYL)ETHYL]-5-[2-(METHYLAMINO)PYRIMIDIN-4-YL]THIOPHENE-2-CARBOXAMIDE | | Definition date: | 2010-01-24 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1H-indol-3-ylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanedioic acid |
|
 | | 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 |
|
 | | HJ7 | | Name: | (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid | | Formula: | C7 H6 O7 | | SMILES: | C(C=C(CC(O)=O)C(O)=O)(=O)C(O)=O | | InChi: | InChI=1S/C7H6O7/c8-4(7(13)14)1-3(6(11)12)2-5(9)10/h1H,2H2,(H,9,10)(H,11,12)(H,13,14)/b3-1- | | Synonyms: | (3Z)-2-keto-4-carboxy-3-hexenedioate | | Definition date: | 2018-07-03 | | Last modified: | 2020-06-17 | | Release date: | 2018-09-26 | | Identifier: | (2Z)-4-oxobut-2-ene-1,2,4-tricarboxylic acid |
|
 | | Z90 | | Name: | 4-({(4-carboxybutyl)[2-(2-{[4-(2-phenylethyl)benzyl]oxy}phenyl)ethyl]amino}methyl)benzoic acid | | Formula: | C36 H39 N O5 | | SMILES: | OC(=O)CCCCN(CCc1ccccc1OCc2ccc(CCc3ccccc3)cc2)Cc4ccc(cc4)C(O)=O | | InChi: | InChI=1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41) | | Synonyms: | 4-((4-carboxybutyl)(2-((4-phenethylbenzol)oxy) phenethyl) amino)methyl(benzoic) acid) | | Definition date: | 2010-01-23 | | Last modified: | 2020-06-17 | | Identifier: | 4-[[(5-hydroxy-5-oxo-pentyl)-[2-[2-[(4-phenethylphenyl)methoxy]phenyl]ethyl]amino]methyl]benzoic acid |
|
 | | Z92 | | Name: | (4E)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2,4-dihydro-3H-pyrazol-3-one | | Formula: | C17 H15 Cl N4 O3 | | SMILES: | COc1ccc(cc1OC)C2=NNC(=O)C2=NNc3ccc(Cl)cc3 | | InChi: | InChI=1S/C17H15ClN4O3/c1-24-13-8-3-10(9-14(13)25-2)15-16(17(23)22-20-15)21-19-12-6-4-11(18)5-7-12/h3-9,19H,1-2H3,(H,21,22,23) | | Synonyms: | (4Z)-4-[(4-chlorophenyl)hydrazono]-5-(3,4-dimethoxyphenyl)-2H-pyrazol-3-one | | Definition date: | 2010-01-21 | | Last modified: | 2020-06-17 | | Identifier: | (4E)-4-[(4-chlorophenyl)hydrazinylidene]-3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-one |
|
 | | Z94 | | Name: | N-{4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl}acetamide | | Formula: | C11 H11 N3 O3 | | SMILES: | CC(=O)Nc1ccc(cc1)[CH]2NC(=O)NC2=O | | InChi: | InChI=1S/C11H11N3O3/c1-6(15)12-8-4-2-7(3-5-8)9-10(16)14-11(17)13-9/h2-5,9H,1H3,(H,12,15)(H2,13,14,16,17)/t9-/m0/s1 | | Synonyms: | 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID | | Definition date: | 2009-12-14 | | Last modified: | 2020-06-17 | | Identifier: | N-[4-[(4S)-2,5-dioxoimidazolidin-4-yl]phenyl]ethanamide |
|
 | | 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 |
|
 | | ZA2 | | Name: | [(2-CHLOROPHENYL)CARBONYLAMINO]METHYL-TRIHYDROXY-BORON | | Formula: | C8 H10 B Cl N O4 | | SMILES: | O[B-](O)(O)CNC(=O)c1ccccc1Cl | | InChi: | InChI=1S/C8H10BClNO4/c10-7-4-2-1-3-6(7)8(12)11-5-9(13,14)15/h1-4,13-15H,5H2,(H,11,12)/q-1 | | Synonyms: | 2-CHLOROBENZAMIDOMETHYLBORONIC ACID | | Definition date: | 2010-12-15 | | Last modified: | 2020-06-17 | | Identifier: | [(2-chlorophenyl)carbonylamino]methyl-trihydroxy-boron |
|
 | | ZAA | | Name: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid | | Formula: | C29 H26 N4 O4 | | SMILES: | O=C(O)Cc1nn(nc1Cc4cc(OCCc2nc(oc2C)c3ccccc3)ccc4)c5ccccc5 | | InChi: | InChI=1S/C29H26N4O4/c1-20-25(30-29(37-20)22-10-4-2-5-11-22)15-16-36-24-14-8-9-21(17-24)18-26-27(19-28(34)35)32-33(31-26)23-12-6-3-7-13-23/h2-14,17H,15-16,18-19H2,1H3,(H,34,35) | | Synonyms: | 2-(5-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-2-PHENYL-2H-1,2,3-TRIAZOL-4-YL)ACETIC ACID | | Definition date: | 2007-12-06 | | Last modified: | 2020-06-17 | | Identifier: | (5-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-2-phenyl-2H-1,2,3-triazol-4-yl)acetic acid |
|
 | | 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 |
|
 | | HKG | | Name: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1
-yl}ethan-1-one | | Formula: | C25 H25 N7 O2 S2 | | SMILES: | c4(nc(Nc1ncc(cc1Oc2c(nccc2)C)Sc3ccccn3)sn4)C5CCN(CC5)C(C)=O | | InChi: | InChI=1S/C25H25N7O2S2/c1-16-20(6-5-11-26-16)34-21-14-19(35-22-7-3-4-10-27-22)15-28-24(21)30-25-29-23(31-36-25)18-8-12-32(13-9-18)17(2)33/h3-7,10-11,14-15,18H,8-9,12-13H2,1-2H3,(H,28,29,30,31) | | Synonyms: | AR453588 | | Definition date: | 2018-07-09 | | Last modified: | 2020-06-17 | | Release date: | 2019-07-10 | | Identifier: | 1-{4-[5-({3-[(2-methylpyridin-3-yl)oxy]-5-[(pyridin-2-yl)sulfanyl]pyridin-2-yl}amino)-1,2,4-thiadiazol-3-yl]piperidin-1-yl}ethan-1-one |
|
 | | HKT | | Name: | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine | | Formula: | C17 H16 F N3 O2 S | | SMILES: | CNCc1cn(c(c1)c2ccccc2F)[S](=O)(=O)c3cccnc3 | | InChi: | InChI=1S/C17H16FN3O2S/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14/h2-9,11-12,19H,10H2,1H3 | | Synonyms: | Vonoprazan | | Definition date: | 2017-10-20 | | Last modified: | 2020-06-17 | | Release date: | 2018-04-11 | | Identifier: | 1-[5-(2-fluorophenyl)-1-pyridin-3-ylsulfonyl-pyrrol-3-yl]-~{N}-methyl-methanamine |
|
 | | HL4 | | Name: | N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide | | Formula: | C8 H13 N O3 | | SMILES: | O=C1OCCC1NC(=O)CCC | | InChi: | InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1 | | Synonyms: | N-butyryl-L-homoserine lactone | | Definition date: | 2010-09-06 | | Last modified: | 2020-06-17 | | Identifier: | N-[(3S)-2-oxotetrahydrofuran-3-yl]butanamide |
|
 | | ZC0 | | Name: | Contezolid | | Formula: | C18 H15 F3 N4 O4 | | SMILES: | C1C(C=CN(C1)c2c(F)cc(c(c2F)F)N3CC(OC3=O)CNc4ccon4)=O | | InChi: | InChI=1S/C18H15F3N4O4/c19-12-7-13(15(20)16(21)17(12)24-4-1-10(26)2-5-24)25-9-11(29-18(25)27)8-22-14-3-6-28-23-14/h1,3-4,6-7,11H,2,5,8-9H2,(H,22,23)/t11-/m0/s1 | | Synonyms: | MRX-I | | Definition date: | 2020-04-29 | | Last modified: | 2020-06-17 | | Release date: | 2020-06-03 | | Identifier: | 1-{2,3,6-trifluoro-4-[(5S)-5-{[(1,2-oxazol-3-yl)amino]methyl}-2-oxo-1,3-oxazolidin-3-yl]phenyl}-2,3-dihydropyridin-4(1H)-one |
|
 | | 2EL | | Name: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-
ol | | Formula: | C16 H25 N5 O3 S | | SMILES: | OCCOCCSCC3CN(Cc2cnc1c2ncnc1N)CC3O | | InChi: | InChI=1S/C16H25N5O3S/c17-16-15-14(19-10-20-16)11(5-18-15)6-21-7-12(13(23)8-21)9-25-4-3-24-2-1-22/h5,10,12-13,18,22-23H,1-4,6-9H2,(H2,17,19,20)/t12-,13+/m1/s1 | | Synonyms: | DIETGLYCOL-THIO-DADME-IMMUCILLIN-A | | Definition date: | 2012-05-09 | | Last modified: | 2020-06-17 | | Release date: | 2013-05-01 | | Identifier: | (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[2-(2-hydroxyethoxy)ethyl]sulfanyl}methyl)pyrrolidin-3-ol |
|
 | | ZDA | | Name: | 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate) | | Formula: | C10 H16 N5 O11 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C | | InChi: | InChI=1S/C10H16N5O11P3/c1-5-6(24-28(19,20)26-29(21,22)25-27(16,17)18)2-7(23-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1 | | Synonyms: | 2',5'-DIDEOXYADENOSINE 3'-TRIPHOSPHATE | | Definition date: | 2014-10-29 | | Last modified: | 2020-06-17 | | Release date: | 2015-09-02 | | Identifier: | 2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate) |
|
 | | ZDM | | Name: | nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside | | Formula: | C21 H40 O11 | | SMILES: | O(CCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | | InChi: | InChI=1S/C21H40O11/c1-2-3-4-5-6-7-8-9-29-20-18(28)16(26)19(13(11-23)31-20)32-21-17(27)15(25)14(24)12(10-22)30-21/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1 | | Synonyms: | nonyl-beta-D-maltoside | | Definition date: | 2011-03-03 | | Last modified: | 2020-06-17 | | Identifier: | nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
|
 | | 2FA | | Name: | 2-(6-AMINO-2-FLUORO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | | Formula: | C10 H12 F N5 O4 | | SMILES: | Fc1nc(c2ncn(c2n1)C3OC(C(O)C3O)CO)N | | InChi: | InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6-,9-/m1/s1 | | Synonyms: | 2-FLUOROADENOSINE | | Definition date: | 2003-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 2-fluoroadenosine |
|
 | | HM3 | | Name: | (4-chloropyridin-2-yl)methanol | | Formula: | C6 H6 Cl N O | | SMILES: | Clc1ccnc(c1)CO | | InChi: | InChI=1S/C6H6ClNO/c7-5-1-2-8-6(3-5)4-9/h1-3,9H,4H2 | | Synonyms: | 4-chloro-2-hydroxymethylpyridine | | Definition date: | 2011-04-14 | | Last modified: | 2020-06-17 | | Identifier: | (4-chloropyridin-2-yl)methanol |
|
 | | 2FD | | Name: | 5-(6-AMINO-2-FLUORO-PURIN-9-YL)-2-HYDROXYMETHYL-TETRAHYDRO-FURAN-3-OL | | Formula: | C10 H12 F N5 O3 | | SMILES: | Fc1nc(c2ncn(c2n1)C3OC(C(O)C3)CO)N | | InChi: | InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1 | | Synonyms: | 2-FLUORO-2'-DEOXYADENOSINE | | Definition date: | 2003-08-06 | | Last modified: | 2020-06-17 | | Identifier: | 2'-deoxy-2-fluoroadenosine |
|
 | | 2FE | | Name: | 2'-fluoro-2'-deoxy-1,N6-ethenoadenine | | Formula: | C12 H13 F N5 O6 P | | SMILES: | O=P(O)(O)OCC4OC(n3cnc1c3ncn2ccnc12)C(F)C4O | | InChi: | InChI=1S/C12H13FN5O6P/c13-7-9(19)6(3-23-25(20,21)22)24-12(7)18-5-15-8-10-14-1-2-17(10)4-16-11(8)18/h1-2,4-7,9,12,19H,3H2,(H2,20,21,22)/t6-,7+,9-,12-/m1/s1 | | Synonyms: | 3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine | | Definition date: | 2008-04-28 | | Last modified: | 2020-06-17 | | Identifier: | 3-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-3H-imidazo[2,1-i]purine |
|
 | | 2FI | | Name: | 2'-fluoro-2'-deoxyinosine | | Formula: | C10 H12 F N4 O7 P | | SMILES: | O=C1c2ncn(c2N=CN1)C3OC(C(O)C3F)COP(=O)(O)O | | InChi: | InChI=1S/C10H12FN4O7P/c11-5-7(16)4(1-21-23(18,19)20)22-10(5)15-3-14-6-8(15)12-2-13-9(6)17/h2-5,7,10,16H,1H2,(H,12,13,17)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1 | | Synonyms: | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one | | Definition date: | 2008-04-28 | | Last modified: | 2020-06-17 | | Identifier: | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-1,9-dihydro-6H-purin-6-one |
|
