 | | G3K | | Name: | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid | | Formula: | C19 H20 Cl N3 O6 | | SMILES: | C1(NC(=NC(=C1O)C(O)=O)C3CCCN3C(=O)C(C)(C)Oc2ccc(Cl)cc2)=O | | InChi: | InChI=1S/C19H20ClN3O6/c1-19(2,29-11-7-5-10(20)6-8-11)18(28)23-9-3-4-12(23)15-21-13(17(26)27)14(24)16(25)22-15/h5-8,12,24H,3-4,9H2,1-2H3,(H,26,27)(H,21,22,25)/t12-/m1/s1 | | Synonyms: | SRI-29782 | | Definition date: | 2017-07-11 | | Last modified: | 2021-03-01 | | Release date: | 2018-01-03 | | Identifier: | 2-{(2R)-1-[2-(4-chlorophenoxy)-2-methylpropanoyl]pyrrolidin-2-yl}-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylic acid |
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 | | G3Q | | Name: | R-Talinolol | | Formula: | C20 H33 N3 O3 | | SMILES: | CC(C)(C)NC[CH](O)COc1ccc(NC(=O)NC2CCCCC2)cc1 | | InChi: | InChI=1S/C20H33N3O3/c1-20(2,3)21-13-17(24)14-26-18-11-9-16(10-12-18)23-19(25)22-15-7-5-4-6-8-15/h9-12,15,17,21,24H,4-8,13-14H2,1-3H3,(H2,22,23,25)/t17-/m1/s1 | | Synonyms: | Talinolol | | Definition date: | 2018-08-23 | | Last modified: | 2021-03-01 | | Release date: | 2019-07-03 | | Identifier: | 1-[4-[(2~{R})-3-(~{tert}-butylamino)-2-oxidanyl-propoxy]phenyl]-3-cyclohexyl-urea |
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 | | G4W | | Name: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile | | Formula: | C20 H20 F2 N6 O | | SMILES: | Fc1cc(F)cc(c1)[CH]2CCNN2C(=O)C3CCN(CC3)c4cc(ncn4)C#N | | InChi: | InChI=1S/C20H20F2N6O/c21-15-7-14(8-16(22)9-15)18-1-4-26-28(18)20(29)13-2-5-27(6-3-13)19-10-17(11-23)24-12-25-19/h7-10,12-13,18,26H,1-6H2/t18-/m0/s1 | | Synonyms: | GSK547 | | Definition date: | 2018-08-28 | | Last modified: | 2021-03-01 | | Release date: | 2018-12-12 | | Identifier: | 6-[4-[(5~{S})-5-[3,5-bis(fluoranyl)phenyl]pyrazolidin-1-yl]carbonylpiperidin-1-yl]pyrimidine-4-carbonitrile |
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 | | 274 | | Name: | (3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE | | Formula: | C28 H30 Cl N5 O4 S | | SMILES: | O=C(N1CCN(C)CC1)c5c(c(/C=C3/c2cc(ccc2NC3=O)S(=O)(=O)N(c4cccc(Cl)c4)C)nc5C)C | | InChi: | InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16- | | Synonyms: | MET KINASE INHIBITOR | | Definition date: | 2006-10-17 | | Last modified: | 2021-03-01 | | Identifier: | (3Z)-N-(3-chlorophenyl)-3-({3,5-dimethyl-4-[(4-methylpiperazin-1-yl)carbonyl]-1H-pyrrol-2-yl}methylidene)-N-methyl-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide |
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 | | 27R | | Name: | [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid | | Formula: | C15 H12 Br N O3 | | SMILES: | O=C(c1ccc(Br)cc1)c2cccc(c2N)CC(=O)O | | InChi: | InChI=1S/C15H12BrNO3/c16-11-6-4-9(5-7-11)15(20)12-3-1-2-10(14(12)17)8-13(18)19/h1-7H,8,17H2,(H,18,19) | | Synonyms: | Bromfenac | | Definition date: | 2013-09-05 | | Last modified: | 2021-03-01 | | Release date: | 2013-09-18 | | Identifier: | [2-amino-3-(4-bromobenzoyl)phenyl]acetic acid |
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 | | 2AQ | | Name: | QUINOLIN-2-AMINE | | Formula: | C9 H8 N2 | | SMILES: | n1c(ccc2ccccc12)N | | InChi: | InChI=1S/C9H8N2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H2,10,11) | | Synonyms: | 2-AMINOQUINOLINE | | Definition date: | 2007-01-12 | | Last modified: | 2021-03-01 | | Identifier: | quinolin-2-amine |
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 | | 2AR | | Name: | 2'-DEOXYARISTEROMYCIN-5'-PHOSPHATE | | Formula: | C11 H16 N5 O5 P | | SMILES: | O=P(O)(O)OCC3CC(n1c2ncnc(c2nc1)N)CC3O | | InChi: | InChI=1S/C11H16N5O5P/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(8(17)2-7)3-21-22(18,19)20/h4-8,17H,1-3H2,(H2,12,13,14)(H2,18,19,20)/t6-,7-,8+/m1/s1 | | Synonyms: | [ADENIN-9-YL-3-HYDROXY-CYCLOPENTAN-5-YL]-METHYL-5'-PHOSPHATE | | Definition date: | 2000-05-04 | | Last modified: | 2021-03-01 | | Identifier: | [(1R,2S,4R)-4-(6-amino-9H-purin-9-yl)-2-hydroxycyclopentyl]methyl dihydrogen phosphate |
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 | | 2BP | | Name: | 9H-purin-2-amine | | Formula: | C5 H5 N5 | | SMILES: | n1cc2ncnc2nc1N | | InChi: | InChI=1S/C5H5N5/c6-5-7-1-3-4(10-5)9-2-8-3/h1-2H,(H3,6,7,8,9,10) | | Synonyms: | 2-AMINOPURINE | | Definition date: | 2009-02-05 | | Last modified: | 2021-03-01 | | Identifier: | 9H-purin-2-amine |
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 | | 2BT | | Name: | 2'-O-BUTYL-THYMIDINE | | Formula: | C14 H23 N2 O9 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCCC)COP(=O)(O)O | | InChi: | InChI=1S/C14H23N2O9P/c1-3-4-5-23-11-10(17)9(7-24-26(20,21)22)25-13(11)16-6-8(2)12(18)15-14(16)19/h6,9-11,13,17H,3-5,7H2,1-2H3,(H,15,18,19)(H2,20,21,22)/t9-,10-,11-,13-/m1/s1 | | Synonyms: | 2'-O-BUTYL-5-METHYLURIDINE | | Definition date: | 2004-12-16 | | Last modified: | 2021-03-01 | | Identifier: | 2'-O-butyl-5-methyluridine 5'-(dihydrogen phosphate) |
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 | | 2BV | | Name: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid | | Formula: | C18 H28 Cl2 N O3 P | | SMILES: | Clc1ccc(cc1Cl)C(NCC(O)CP(=O)(O)CC2CCCCC2)C | | InChi: | InChI=1S/C18H28Cl2NO3P/c1-13(15-7-8-17(19)18(20)9-15)21-10-16(22)12-25(23,24)11-14-5-3-2-4-6-14/h7-9,13-14,16,21-22H,2-6,10-12H2,1H3,(H,23,24)/t13-,16-/m0/s1 | | Synonyms: | CGP 54626 | | Definition date: | 2013-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-11 | | Identifier: | (R)-(cyclohexylmethyl)[(2S)-3-{[(1S)-1-(3,4-dichlorophenyl)ethyl]amino}-2-hydroxypropyl]phosphinic acid |
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 | | 2BX | | Name: | [(2S)-5,5-dimethylmorpholin-2-yl]acetic acid | | Formula: | C8 H15 N O3 | | SMILES: | O=C(O)CC1OCC(NC1)(C)C | | InChi: | InChI=1S/C8H15NO3/c1-8(2)5-12-6(4-9-8)3-7(10)11/h6,9H,3-5H2,1-2H3,(H,10,11)/t6-/m0/s1 | | Synonyms: | SCH50911 | | Definition date: | 2013-09-19 | | Last modified: | 2021-03-01 | | Release date: | 2013-12-11 | | Identifier: | [(2S)-5,5-dimethylmorpholin-2-yl]acetic acid |
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 | | 2CR | | Name: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid | | Formula: | C28 H43 N O6 | | SMILES: | O=C(O)C1CCCC1C2OC(=O)CC(O)C(C)CC(C)CC(C)CC(C(O)C(C#N)=CC=CC2)C | | InChi: | InChI=1S/C28H43NO6/c1-17-12-18(2)14-20(4)27(32)21(16-29)8-5-6-11-25(22-9-7-10-23(22)28(33)34)35-26(31)15-24(30)19(3)13-17/h5-6,8,17-20,22-25,27,30,32H,7,9-15H2,1-4H3,(H,33,34)/b6-5+,21-8+/t17-,18+,19-,20-,22+,23+,24-,25-,27+/m0/s1 | | Synonyms: | Borrelidin | | Definition date: | 2014-03-19 | | Last modified: | 2021-03-01 | | Release date: | 2015-03-11 | | Identifier: | (1R,2R)-2-[(2S,4E,6E,8R,9S,11R,13S,15S,16S)-7-cyano-8,16-dihydroxy-9,11,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6-dien-2-yl]cyclopentanecarboxylic acid |
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 | | 2ED | | Name: | N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide | | Formula: | C20 H39 N O3 | | SMILES: | O=C(NC(CO)C(O)/C=C/CCCCCCCCCCCCC)C | | InChi: | InChI=1S/C20H39NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)19(17-22)21-18(2)23/h15-16,19-20,22,24H,3-14,17H2,1-2H3,(H,21,23)/b16-15+/t19-,20-/m1/s1 | | Synonyms: | C2-ceramide | | Definition date: | 2009-01-26 | | Last modified: | 2021-03-01 | | Identifier: | N-[(1R,2R,3E)-2-hydroxy-1-(hydroxymethyl)heptadec-3-en-1-yl]acetamide |
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 | | 2F0 | | Name: | 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide | | Formula: | C19 H21 Cl N4 O3 | | SMILES: | O=C(c1cc(ccc1Cl)NC(=O)NC(c2cccc(C(=NO)C)c2)(C)C)N | | InChi: | InChI=1S/C19H21ClN4O3/c1-11(24-27)12-5-4-6-13(9-12)19(2,3)23-18(26)22-14-7-8-16(20)15(10-14)17(21)25/h4-10,27H,1-3H3,(H2,21,25)(H2,22,23,26)/b24-11+ | | Synonyms: | P32 | | Definition date: | 2013-10-03 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-23 | | Identifier: | 2-chloro-5-{[(2-{3-[(1E)-N-hydroxyethanimidoyl]phenyl}propan-2-yl)carbamoyl]amino}benzamide |
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 | | 2G7 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isobutylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid | | Formula: | C19 H32 N3 O5 P | | SMILES: | O=C(NCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C19H32N3O5P/c1-14(2)10-17(18(23)20-11-15(3)4)22-28(25,26)13-21-19(24)27-12-16-8-6-5-7-9-16/h5-9,14-15,17H,10-13H2,1-4H3,(H,20,23)(H,21,24)(H2,22,25,26)/t17-/m0/s1 | | Synonyms: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-methylpropyl)-L-leucinamide |
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 | | 2GC | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-4-methyl-1-oxo-1-(phenethylamino)pentan-2-yl)phosphonamidic acid | | Formula: | C23 H32 N3 O5 P | | SMILES: | C(OC(=O)NCP(NC(CC(C)C)C(=O)NCCc1ccccc1)(=O)O)c2ccccc2 | | InChi: | InChI=1S/C23H32N3O5P/c1-18(2)15-21(22(27)24-14-13-19-9-5-3-6-10-19)26-32(29,30)17-25-23(28)31-16-20-11-7-4-8-12-20/h3-12,18,21H,13-17H2,1-2H3,(H,24,27)(H,25,28)(H2,26,29,30)/t21-/m0/s1 | | Synonyms: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide | | Definition date: | 2013-10-11 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(R)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(2-phenylethyl)-L-leucinamide |
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 | | 2GF | | Name: | [(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate | | Formula: | C9 H11 Cl N3 O7 P | | SMILES: | O=P(O)(O)OCC2OC(N1C(=O)N=C(N)C(Cl)=C1)CC2=O | | InChi: | InChI=1S/C9H11ClN3O7P/c10-4-2-13(9(15)12-8(4)11)7-1-5(14)6(20-7)3-19-21(16,17)18/h2,6-7H,1,3H2,(H2,11,12,15)(H2,16,17,18)/t6-,7-/m1/s1 | | Synonyms: | 5-CHLORO DEOXYCYTIDINE-5'-MONOPHOSPHATE | | Definition date: | 2013-10-15 | | Last modified: | 2021-03-01 | | Release date: | 2013-11-06 | | Identifier: | [(2R,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1(2H)-yl)-3-oxotetrahydrofuran-2-yl]methyl dihydrogen phosphate |
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 | | 2H0 | | Name: | P-((((benzyloxy)carbonyl)amino)methyl)-N-((S)-1-(isopentylamino)-4-methyl-1-oxopentan-2-yl)phosphonamidic acid | | Formula: | C20 H34 N3 O5 P | | SMILES: | O=C(NCCC(C)C)C(NP(=O)(O)CNC(=O)OCc1ccccc1)CC(C)C | | InChi: | InChI=1S/C20H34N3O5P/c1-15(2)10-11-21-19(24)18(12-16(3)4)23-29(26,27)14-22-20(25)28-13-17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3,(H,21,24)(H,22,25)(H2,23,26,27)/t18-/m0/s1 | | Synonyms: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide | | Definition date: | 2013-10-17 | | Last modified: | 2021-03-01 | | Release date: | 2014-04-02 | | Identifier: | N~2~-[(S)-({[(benzyloxy)carbonyl]amino}methyl)(hydroxy)phosphoryl]-N-(3-methylbutyl)-L-leucinamide |
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 | | 2IW | | Name: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide | | Formula: | C26 H21 N3 O3 | | SMILES: | O=C(Nc2c1nccc(c1ccc2)C)c3ccc(cc3)N5C(=O)C6C4C=CC(C4)C6C5=O | | InChi: | InChI=1S/C26H21N3O3/c1-14-11-12-27-23-19(14)3-2-4-20(23)28-24(30)15-7-9-18(10-8-15)29-25(31)21-16-5-6-17(13-16)22(21)26(29)32/h2-12,16-17,21-22H,13H2,1H3,(H,28,30)/t16-,17+,21-,22+ | | Synonyms: | IWR-2 | | Definition date: | 2012-03-06 | | Last modified: | 2021-03-01 | | Identifier: | 4-[(3aR,4S,7R,7aS)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]-N-(4-methylquinolin-8-yl)benzamide |
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 | | 2L3 | | Name: | (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid | | Formula: | C11 H10 O5 S | | SMILES: | O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C | | InChi: | InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m1/s1 | | Synonyms: | menadione bisulfite | | Definition date: | 2013-11-25 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-19 | | Identifier: | (2R)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid |
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 | | 2LB | | Name: | (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid | | Formula: | C11 H10 O5 S | | SMILES: | O=S(=O)(O)C2(C(=O)c1c(cccc1)C(=O)C2)C | | InChi: | InChI=1S/C11H10O5S/c1-11(17(14,15)16)6-9(12)7-4-2-3-5-8(7)10(11)13/h2-5H,6H2,1H3,(H,14,15,16)/t11-/m0/s1 | | Synonyms: | menadione bisulfite | | Definition date: | 2013-11-26 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-19 | | Identifier: | (2S)-2-methyl-1,4-dioxo-1,2,3,4-tetrahydronaphthalene-2-sulfonic acid |
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 | | G6M | | Name: | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide | | Formula: | C16 H19 Cl F N3 O4 | | SMILES: | c1c(c(cc(c1)N2C(=O)OC(C2)CNC(CCl)=O)F)N3CCOCC3 | | InChi: | InChI=1S/C16H19ClFN3O4/c17-8-15(22)19-9-12-10-21(16(23)25-12)11-1-2-14(13(18)7-11)20-3-5-24-6-4-20/h1-2,7,12H,3-6,8-10H2,(H,19,22)/t12-/m0/s1 | | Synonyms: | oxazolidinone antibiotic LZD-6 | | Definition date: | 2018-05-10 | | Last modified: | 2021-03-01 | | Release date: | 2019-03-20 | | Identifier: | 2-chloro-N-({(5S)-3-[3-fluoro-4-(morpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl}methyl)acetamide |
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 | | G90 | | Name: | 2-[(2S)-3-[[1-(1H-indol-3-yl)-2-methyl-propan-2-yl]amino]-2-oxidanyl-propoxy]benzenecarbonitrile | | Formula: | C22 H25 N3 O2 | | SMILES: | N#Cc3ccccc3OCC(O)CNC(C)(C)Cc2c1ccccc1nc2 | | InChi: | InChI=1S/C22H25N3O2/c1-22(2,11-17-13-24-20-9-5-4-8-19(17)20)25-14-18(26)15-27-21-10-6-3-7-16(21)12-23/h3-10,13,18,24-26H,11,14-15H2,1-2H3/t18-/m0/s1 | | Synonyms: | BUCINDOLOL | | Definition date: | 2012-03-11 | | Last modified: | 2021-03-01 | | Identifier: | 2-{[(2S)-2-hydroxy-3-{[1-(1H-indol-3-yl)-2-methylpropan-2-yl]amino}propyl]oxy}benzonitrile |
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 | | G9A | | Name: | (2E)-pent-2-enedioic acid | | Formula: | C5 H6 O4 | | SMILES: | O=C(O)C=CCC(=O)O | | InChi: | InChI=1S/C5H6O4/c6-4(7)2-1-3-5(8)9/h1-2H,3H2,(H,6,7)(H,8,9)/b2-1+ | | Synonyms: | Glutaconic acid | | Definition date: | 2014-08-12 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-24 | | Identifier: | (2E)-pent-2-enedioic acid |
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 | | GBJ | | Name: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol | | Formula: | C20 H20 O4 | | SMILES: | O4c2c1C=CC(Oc1ccc2CC(c3ccc(O)cc3O)C4)(C)C | | InChi: | InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1 | | Synonyms: | glabridin | | Definition date: | 2013-10-24 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-19 | | Identifier: | 4-[(3R)-8,8-dimethyl-3,4-dihydro-2H,8H-pyrano[2,3-f]chromen-3-yl]benzene-1,3-diol |
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