 | | OUH | | Name: | [(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid | | Formula: | C7 H12 N4 O2 | | SMILES: | N[CH](CNC(O)=O)Cc1[nH]cnc1 | | InChi: | InChI=1S/C7H12N4O2/c8-5(2-10-7(12)13)1-6-3-9-4-11-6/h3-5,10H,1-2,8H2,(H,9,11)(H,12,13)/t5-/m0/s1 | | Definition date: | 2017-02-10 | | Last modified: | 2024-09-27 | | Release date: | 2017-04-12 | | Identifier: | [(2~{S})-2-azanyl-3-(1~{H}-imidazol-5-yl)propyl]carbamic acid |
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 | | 0YG | | Name: | N-[(2Z)-2-amino-3-(4-hydroxyphenyl)prop-2-enoyl]glycine | | Formula: | C11 H12 N2 O4 | | SMILES: | NC(=Cc1ccc(O)cc1)C(=O)NCC(O)=O | | InChi: | InChI=1S/C11H12N2O4/c12-9(11(17)13-6-10(15)16)5-7-1-3-8(14)4-2-7/h1-5,14H,6,12H2,(H,13,17)(H,15,16)/b9-5- | | Definition date: | 2010-02-16 | | Last modified: | 2024-09-27 | | Identifier: | 2-[[(Z)-2-azanyl-3-(4-hydroxyphenyl)prop-2-enoyl]amino]ethanoic acid |
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 | | 1BO | | Name: | 1-BUTANOL | | Formula: | C4 H10 O | | SMILES: | OCCCC | | InChi: | InChI=1S/C4H10O/c1-2-3-4-5/h5H,2-4H2,1H3 | | Synonyms: | BUTAN-1-OL | | Definition date: | 2000-11-07 | | Last modified: | 2024-09-27 | | Identifier: | butan-1-ol |
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 | | RHI | | Name: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide | | Formula: | C23 H23 Cl N4 O4 S | | SMILES: | CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1CN(Cc2ccc(Cl)cc21)CC(=O)NC | | InChi: | InChI=1S/C23H23ClN4O4S/c1-25-22(29)13-28-11-14-3-4-16(24)8-19(14)20(12-28)23(30)27-21-10-26-9-15-7-17(33(2,31)32)5-6-18(15)21/h3-10,20H,11-13H2,1-2H3,(H,25,29)(H,27,30)/t20-/m1/s1 | | Definition date: | 2023-08-22 | | Last modified: | 2023-11-03 | | Release date: | 2023-11-08 | | Identifier: | (4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide |
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 | | XSX | | Name: | 3-[(3R)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) | | Formula: | C13 H20 N3 O11 P | | SMILES: | O=C(O)C(N)CCN1C(=O)C=CN(C1=O)C1OC(COP(=O)(O)O)C(O)C1O | | InChi: | InChI=1S/C13H20N3O11P/c14-6(12(20)21)1-3-15-8(17)2-4-16(13(15)22)11-10(19)9(18)7(27-11)5-26-28(23,24)25/h2,4,6-7,9-11,18-19H,1,3,5,14H2,(H,20,21)(H2,23,24,25)/t6-,7-,9-,10-,11-/m1/s1 | | Definition date: | 2022-12-07 | | Last modified: | 2023-09-01 | | Release date: | 2023-09-06 | | Identifier: | 3-[(3R)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) |
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 | | JN0 | | Name: | 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one | | Formula: | C20 H18 O6 | | SMILES: | CC(C)=CCc1cc(cc(O)c1O)C2=COc3cc(O)cc(O)c3C2=O | | InChi: | InChI=1S/C20H18O6/c1-10(2)3-4-11-5-12(6-16(23)19(11)24)14-9-26-17-8-13(21)7-15(22)18(17)20(14)25/h3,5-9,21-24H,4H2,1-2H3 | | Synonyms: | Glycyrrhisoflavone | | Definition date: | 2022-08-23 | | Last modified: | 2023-07-07 | | Release date: | 2023-07-12 | | Identifier: | 3-[3-(3-methylbut-2-enyl)-4,5-bis(oxidanyl)phenyl]-5,7-bis(oxidanyl)chromen-4-one |
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 | | X0G | | Name: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine | | Formula: | C10 H15 N3 O2 | | SMILES: | C3N(Cc1nc(no1)C2CC2)CCOC3 | | InChi: | InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine |
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 | | 3AU | | Name: | 3-[(3S)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) | | Formula: | C13 H20 N3 O11 P | | SMILES: | O=C(O)C(N)CCN1C(=O)C=CN(C1=O)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C13H20N3O11P/c14-6(12(20)21)1-3-15-8(17)2-4-16(13(15)22)11-10(19)9(18)7(27-11)5-26-28(23,24)25/h2,4,6-7,9-11,18-19H,1,3,5,14H2,(H,20,21)(H2,23,24,25)/t6-,7+,9+,10+,11+/m0/s1 | | Definition date: | 2011-01-18 | | Last modified: | 2021-05-11 | | Identifier: | 3-[(3S)-3-amino-3-carboxypropyl]uridine 5'-(dihydrogen phosphate) |
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 | | Q7B | | Name: | (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid | | Formula: | C18 H18 O2 | | SMILES: | Cc1ccc(C[C]2(C[CH]2c3ccccc3)C(O)=O)cc1 | | InChi: | InChI=1S/C18H18O2/c1-13-7-9-14(10-8-13)11-18(17(19)20)12-16(18)15-5-3-2-4-6-15/h2-10,16H,11-12H2,1H3,(H,19,20)/t16-,18+/m0/s1 | | Definition date: | 2020-05-26 | | Last modified: | 2021-04-02 | | Release date: | 2021-04-07 | | Identifier: | (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid |
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 | | CFA | | Name: | (2,4-DICHLOROPHENOXY)ACETIC ACID | | Formula: | C8 H6 Cl2 O3 | | SMILES: | Clc1cc(Cl)ccc1OCC(=O)O | | InChi: | InChI=1S/C8H6Cl2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2,(H,11,12) | | Synonyms: | 2,4-DICHLOROPHENOXYACETIC ACID | | Definition date: | 2001-12-05 | | Last modified: | 2021-03-13 | | Identifier: | (2,4-dichlorophenoxy)acetic acid |
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 | | 1N1 | | Name: | N-(2-CHLORO-6-METHYLPHENYL)-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE | | Formula: | C22 H26 Cl N7 O2 S | | SMILES: | Clc1cccc(c1NC(=O)c2sc(nc2)Nc4nc(nc(N3CCN(CCO)CC3)c4)C)C | | InChi: | InChI=1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27) | | Synonyms: | Dasatinib | | Definition date: | 2006-04-24 | | Last modified: | 2021-03-01 | | Identifier: | N-(2-chloro-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide |
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 | | 36L | | Name: | (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione | | Formula: | C35 H47 N O8 | | SMILES: | O=C1OC2C(C=CC4OC4(C(O)CC(OC(=O)C=CCC(C1)C2)C(C)C(OC)C(=CC=CC(=Cc3nc(oc3)C)C)C)C)C | | InChi: | InChI=1S/C35H47NO8/c1-21(16-27-20-41-25(5)36-27)10-8-11-23(3)34(40-7)24(4)29-19-30(37)35(6)31(44-35)15-14-22(2)28-17-26(18-33(39)42-28)12-9-13-32(38)43-29/h8-11,13-16,20,22,24,26,28-31,34,37H,12,17-19H2,1-7H3/b10-8+,13-9+,15-14+,21-16+,23-11+/t22-,24+,26-,28-,29+,30+,31-,34+,35-/m1/s1 | | Synonyms: | Rhizoxin | | Definition date: | 2014-06-25 | | Last modified: | 2021-03-01 | | Release date: | 2014-08-27 | | Identifier: | (1R,2R,3E,5R,7R,8S,10S,13E,16R)-8-hydroxy-10-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-2,7-dimethyl-6,11,19-trioxatricyclo[14.3.1.0~5,7~]icosa-3,13-diene-12,18-dione |
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 | | 22N | | Name: | (3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | | Formula: | C14 H24 N2 O4 | | SMILES: | O=C(O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)C1 | | InChi: | InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13-/m0/s1 | | Synonyms: | stereomutated oseltamivir carboxylate | | Definition date: | 2013-08-23 | | Last modified: | 2021-03-01 | | Release date: | 2014-02-12 | | Identifier: | (3R,4S,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid |
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 | | KHP | | Name: | 4-nitrophenyl alpha-L-arabinofuranoside | | Formula: | C11 H13 N O7 | | SMILES: | [O-][N+](=O)c2ccc(OC1OC(C(O)C1O)CO)cc2 | | InChi: | InChI=1S/C11H13NO7/c13-5-8-9(14)10(15)11(19-8)18-7-3-1-6(2-4-7)12(16)17/h1-4,8-11,13-15H,5H2/t8-,9-,10+,11+/m0/s1 | | Synonyms: | 2-HYDROXYMETHYL-5-(4-NITRO-PHENOXY)-TETRAHYDRO-FURAN-3,4-DIOL | | Definition date: | 2003-09-12 | | Last modified: | 2020-07-17 | | Identifier: | 4-nitrophenyl alpha-L-arabinofuranoside |
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 | | 17T | | Name: | N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine | | Formula: | C14 H18 Cl N3 O5 S | | SMILES: | S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(Cl)cc2 | | InChi: | InChI=1S/C14H18ClN3O5S/c15-8-3-1-7(2-4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1 | | Synonyms: | N-({(2E)-2-[(4-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucosylamine | | Definition date: | 2010-05-03 | | Last modified: | 2020-07-17 | | Identifier: | N-{[(2E)-2-(4-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine |
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 | | G39 | | Name: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid | | Formula: | C14 H24 N2 O4 | | SMILES: | O=C(O)C1=CC(OC(CC)CC)C(NC(=O)C)C(N)C1 | | InChi: | InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1 | | Synonyms: | Oseltamivir carboxylate | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid |
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 | | 3AW | | Name: | 6-METHYL-1,3,5-TRIAZINE-2,4-DIAMINE | | Formula: | C4 H7 N5 | | SMILES: | n1c(nc(nc1C)N)N | | InChi: | InChI=1S/C4H7N5/c1-2-7-3(5)9-4(6)8-2/h1H3,(H4,5,6,7,8,9) | | Synonyms: | ACETOGUANAMINE | | Definition date: | 2009-11-13 | | Last modified: | 2020-06-17 | | Identifier: | 6-methyl-1,3,5-triazine-2,4-diamine |
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 | | HMT | | Name: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine | | Formula: | C29 H39 N O9 | | SMILES: | O=C(OC)CC(O)(C(=O)OC5C(OC)=CC41N(CCC1)CCc3c(cc2OCOc2c3)C45)CCCC(O)(C)C | | InChi: | InChI=1S/C29H39NO9/c1-27(2,33)8-5-10-29(34,16-23(31)36-4)26(32)39-25-22(35-3)15-28-9-6-11-30(28)12-7-18-13-20-21(38-17-37-20)14-19(18)24(25)28/h13-15,24-25,33-34H,5-12,16-17H2,1-4H3/t24-,25-,28+,29-/m1/s1 | | Synonyms: | Homoharringtonine | | Definition date: | 2009-02-16 | | Last modified: | 2020-05-27 | | Identifier: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine |
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 | | RHY | | Name: | 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one | | Formula: | C12 H15 N3 O2 | | SMILES: | C321Cc4c(C(CC1CN(C2)C(C)=O)O3)ncn4 | | InChi: | InChI=1S/C12H15N3O2/c1-7(16)15-4-8-2-10-11-9(13-6-14-11)3-12(8,5-15)17-10/h6,8,10H,2-5H2,1H3,(H,13,14)/t8-,10-,12+/m0/s1 | | Definition date: | 2020-02-12 | | Last modified: | 2020-04-03 | | Release date: | 2020-04-08 | | Identifier: | 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one |
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 | | LJ7 | | Name: | N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide | | Formula: | C14 H16 F N3 O | | SMILES: | n1(nc(cc1)C(NCc2ccc(cc2)F)=O)C(C)C | | InChi: | InChI=1S/C14H16FN3O/c1-10(2)18-8-7-13(17-18)14(19)16-9-11-3-5-12(15)6-4-11/h3-8,10H,9H2,1-2H3,(H,16,19) | | Definition date: | 2019-02-22 | | Last modified: | 2019-05-03 | | Release date: | 2019-05-08 | | Identifier: | N-[(4-fluorophenyl)methyl]-1-(propan-2-yl)-1H-pyrazole-3-carboxamide |
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 | | E6G | | Name: | 6-ethyl, guanosine-5'-monophosphate | | Formula: | C12 H18 N5 O8 P | | SMILES: | CCOc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O | | InChi: | InChI=1S/C12H18N5O8P/c1-2-23-10-6-9(15-12(13)16-10)17(4-14-6)11-8(19)7(18)5(25-11)3-24-26(20,21)22/h4-5,7-8,11,18-19H,2-3H2,1H3,(H2,13,15,16)(H2,20,21,22)/t5-,7-,8-,11-/m1/s1 | | Definition date: | 2017-09-25 | | Last modified: | 2019-04-29 | | Release date: | 2018-01-24 | | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-ethoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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 | | GQ8 | | Name: | 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide | | Formula: | C24 H26 N6 O | | SMILES: | C[CH]1CCCN1Cc2[nH]c3cc(NC(=O)c4ccc5n(ncc5c4)C6CC6)ccc3n2 | | InChi: | InChI=1S/C24H26N6O/c1-15-3-2-10-29(15)14-23-27-20-8-5-18(12-21(20)28-23)26-24(31)16-4-9-22-17(11-16)13-25-30(22)19-6-7-19/h4-5,8-9,11-13,15,19H,2-3,6-7,10,14H2,1H3,(H,26,31)(H,27,28)/t15-/m0/s1 | | Definition date: | 2018-10-02 | | Last modified: | 2018-10-12 | | Release date: | 2018-10-17 | | Identifier: | 1-cyclopropyl-~{N}-[2-[[(2~{S})-2-methylpyrrolidin-1-yl]methyl]-3~{H}-benzimidazol-5-yl]indazole-5-carboxamide |
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 | | CWY | | Name: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid | | Formula: | C16 H18 N2 O6 | | SMILES: | OC(C3(CC(NC(=O)c1cc(OC)ccc1)C2C(C(O)=O)C23)N)=O | | InChi: | InChI=1S/C16H18N2O6/c1-24-8-4-2-3-7(5-8)13(19)18-9-6-16(17,15(22)23)12-10(9)11(12)14(20)21/h2-5,9-12H,6,17H2,1H3,(H,18,19)(H,20,21)(H,22,23)/t9-,10-,11-,12-,16-/m0/s1 | | Definition date: | 2017-10-05 | | Last modified: | 2018-04-20 | | Release date: | 2018-04-25 | | Identifier: | (1S,2S,4S,5R,6S)-2-amino-4-[(3-methoxybenzene-1-carbonyl)amino]bicyclo[3.1.0]hexane-2,6-dicarboxylic acid |
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 | | 8MB | | Name: | (~{E})-3-(4-methylphenyl)prop-2-enoic acid | | Formula: | C10 H10 O2 | | SMILES: | Cc1ccc(cc1)C=CC(O)=O | | InChi: | InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+ | | Definition date: | 2017-02-11 | | Last modified: | 2018-02-23 | | Release date: | 2018-02-28 | | Identifier: | (~{E})-3-(4-methylphenyl)prop-2-enoic acid |
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 | | 6VU | | Name: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide | | Formula: | C27 H41 N5 O4 | | SMILES: | COCCCCn1c2ccccc2nc1C(=O)N(CC(C)C)[CH]3CNC[CH](C3)C(=O)N4CCOCC4 | | InChi: | InChI=1S/C27H41N5O4/c1-20(2)19-32(22-16-21(17-28-18-22)26(33)30-11-14-36-15-12-30)27(34)25-29-23-8-4-5-9-24(23)31(25)10-6-7-13-35-3/h4-5,8-9,20-22,28H,6-7,10-19H2,1-3H3/t21-,22+/m1/s1 | | Definition date: | 2016-07-06 | | Last modified: | 2017-06-30 | | Release date: | 2017-07-05 | | Identifier: | 1-(4-methoxybutyl)-~{N}-(2-methylpropyl)-~{N}-[(3~{S},5~{R})-5-morpholin-4-ylcarbonylpiperidin-3-yl]benzimidazole-2-carboxamide |
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