 | | K6U | | Name: | (2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole | | Formula: | C9 H8 N2 O2 | | SMILES: | COc1ccccc1c1nnco1 | | InChi: | InChI=1S/C9H8N2O2/c1-12-8-5-3-2-4-7(8)9-11-10-6-13-9/h2-6H,1H3 | | Definition date: | 2023-08-10 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (2M)-2-(2-methoxyphenyl)-1,3,4-oxadiazole |
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 | | ZLF | | Name: | S-(1-FLUORO-3,5-DIMETHYLBENZENE)-CYSTEINE | | Formula: | C11 H14 F N O2 S | | SMILES: | Cc1cc(F)cc(CSC[CH](N)C(O)=O)c1 | | InChi: | InChI=1S/C11H14FNO2S/c1-7-2-8(4-9(12)3-7)5-16-6-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)/t10-/m0/s1 | | Synonyms: | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 2-azanyl-3-[(3-fluoranyl-5-methyl-phenyl)methylsulfanyl]propanoic acid |
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 | | TN0 | | Name: | (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one | | Formula: | C17 H14 N2 O3 S | | SMILES: | COc1ccc(cc1O)C=C2SC(NC2=O)=Nc3ccccc3 | | InChi: | InChI=1S/C17H14N2O3S/c1-22-14-8-7-11(9-13(14)20)10-15-16(21)19-17(23-15)18-12-5-3-2-4-6-12/h2-10,20H,1H3,(H,18,19,21)/b15-10- | | Definition date: | 2023-01-12 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (2~{Z},5~{Z})-5-[(4-methoxy-3-oxidanyl-phenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one |
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 | | TNO | | Name: | (5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione | | Formula: | C11 H9 N O4 S | | SMILES: | COc1cc(ccc1O)C=C2SC(=O)NC2=O | | InChi: | InChI=1S/C11H9NO4S/c1-16-8-4-6(2-3-7(8)13)5-9-10(14)12-11(15)17-9/h2-5,13H,1H3,(H,12,14,15)/b9-5- | | Definition date: | 2023-01-12 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (5~{Z})-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazolidine-2,4-dione |
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 | | TO6 | | Name: | 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile | | Formula: | C14 H11 N5 O2 | | SMILES: | COc1cc(ccc1O)C=C(C#N)c2[nH]nc(N)c2C#N | | InChi: | InChI=1S/C14H11N5O2/c1-21-12-5-8(2-3-11(12)20)4-9(6-15)13-10(7-16)14(17)19-18-13/h2-5,20H,1H3,(H3,17,18,19)/b9-4+ | | Definition date: | 2023-01-12 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3-azanyl-5-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-1~{H}-pyrazole-4-carbonitrile |
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 | | Z50 | | Name: | 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}-5-(4-methyl-1H-1,2,3-triazol-1-yl)phenyl)methyl]sulfanyl}propanoic acid | | Formula: | C16 H22 N4 O2 S2 | | SMILES: | Cc1cn(nn1)c2cc(CSCCN)cc(CSCCC(O)=O)c2 | | InChi: | InChI=1S/C16H22N4O2S2/c1-12-9-20(19-18-12)15-7-13(10-23-4-2-16(21)22)6-14(8-15)11-24-5-3-17/h6-9H,2-5,10-11,17H2,1H3,(H,21,22) | | Synonyms: | 3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3-[[3-(2-azanylethylsulfanylmethyl)-5-(4-methyl-1,2,3-triazol-1-yl)phenyl]methylsulfanyl]propanoic acid |
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 | | ZQF | | Name: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid | | Formula: | C38 H42 N4 O10 S2 | | SMILES: | O=S(=O)(Nc1ccc(NC(=O)CCNC(=O)c2ccc(NS(=O)(=O)c3ccc(CCCC)cc3)c(c2)C(=O)O)cc1C(=O)O)c1ccc(CCCC)cc1 | | InChi: | InChI=1S/C38H42N4O10S2/c1-3-5-7-25-9-15-29(16-10-25)53(49,50)41-33-19-13-27(23-31(33)37(45)46)36(44)39-22-21-35(43)40-28-14-20-34(32(24-28)38(47)48)42-54(51,52)30-17-11-26(12-18-30)8-6-4-2/h9-20,23-24,41-42H,3-8,21-22H2,1-2H3,(H,39,44)(H,40,43)(H,45,46)(H,47,48) | | Definition date: | 2023-03-20 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 2-[(4-butylbenzene-1-sulfonyl)amino]-5-[(3-{4-[(4-butylbenzene-1-sulfonyl)amino]-3-carboxyanilino}-3-oxopropyl)carbamoyl]benzoic acid |
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 | | WRC | | Name: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide | | Formula: | C20 H21 F3 N2 O3 | | SMILES: | Fc1cc(cc(F)c1F)c1ccc(cc1)C(NC(=O)CC(C)(C)C)C(=O)NO | | InChi: | InChI=1S/C20H21F3N2O3/c1-20(2,3)10-16(26)24-18(19(27)25-28)12-6-4-11(5-7-12)13-8-14(21)17(23)15(22)9-13/h4-9,18,28H,10H2,1-3H3,(H,24,26)(H,25,27)/t18-/m1/s1 | | Definition date: | 2023-05-17 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-3,3-dimethylbutanamide |
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 | | TQR | | Name: | 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one | | Formula: | C9 H13 N3 O4 S | | SMILES: | NC1=NC(=O)N(C=C1)[CH]2S[CH](CO)[CH](O)[CH]2O | | InChi: | InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7-,8-/m1/s1 | | Definition date: | 2023-04-29 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl]pyrimidin-2-one |
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 | | X9W | | Name: | (2R)-(dimethylphosphoryl)(hydroxy)acetic acid | | Formula: | C4 H9 O4 P | | SMILES: | O=C(O)C(O)P(C)(C)=O | | InChi: | InChI=1S/C4H9O4P/c1-9(2,8)4(7)3(5)6/h4,7H,1-2H3,(H,5,6)/t4-/m1/s1 | | Definition date: | 2023-10-26 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (2R)-(dimethylphosphoryl)(hydroxy)acetic acid |
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 | | Z9J | | Name: | 3-{[(3-{[(2-aminoethyl)sulfanyl]methyl}phenyl)methyl]sulfanyl}propanoic acid | | Formula: | C13 H19 N O2 S2 | | SMILES: | NCCSCc1cccc(CSCCC(O)=O)c1 | | InChi: | InChI=1S/C13H19NO2S2/c14-5-7-18-10-12-3-1-2-11(8-12)9-17-6-4-13(15)16/h1-3,8H,4-7,9-10,14H2,(H,15,16) | | Synonyms: | 3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid | | Definition date: | 2024-01-22 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3-[[3-(2-azanylethylsulfanylmethyl)phenyl]methylsulfanyl]propanoic acid |
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 | | XAI | | Name: | (2R)-2,3-dihydroxy-3-methylbutanoic acid | | Formula: | C5 H10 O4 | | SMILES: | O=C(O)C(O)C(C)(C)O | | InChi: | InChI=1S/C5H10O4/c1-5(2,9)3(6)4(7)8/h3,6,9H,1-2H3,(H,7,8)/t3-/m0/s1 | | Definition date: | 2023-10-26 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (2R)-2,3-dihydroxy-3-methylbutanoic acid |
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 | | TT9 | | Name: | [(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate | | Formula: | C9 H15 N3 O11 P2 S | | SMILES: | NC1=NC(=O)N(C=C1)[CH]2S[C](CO)(O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O | | InChi: | InChI=1S/C9H15N3O11P2S/c10-4-1-2-12(8(16)11-4)7-5(14)6(15)9(3-13,26-7)22-25(20,21)23-24(17,18)19/h1-2,5-7,13-15H,3H2,(H,20,21)(H2,10,11,16)(H2,17,18,19)/t5-,6+,7-,9+/m1/s1 | | Definition date: | 2023-04-29 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | [(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-2-(hydroxymethyl)-3,4-bis(oxidanyl)thiolan-2-yl] phosphono hydrogen phosphate |
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 | | XS0 | | Name: | namodenoson | | Formula: | C18 H18 Cl I N6 O4 | | SMILES: | CNC(=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc23 | | InChi: | InChI=1S/C18H18ClIN6O4/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1 | | Synonyms: | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide | | Definition date: | 2023-11-09 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (2~{S},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[(3-iodanylphenyl)methylamino]purin-9-yl]-~{N}-methyl-3,4-bis(oxidanyl)oxolane-2-carboxamide |
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 | | TF9 | | Name: | 1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea | | Formula: | C15 H20 N2 O4 S | | SMILES: | CC(=O)c1ccc(cc1)[S](=O)(=O)NC(=O)NC2CCCCC2 | | InChi: | InChI=1S/C15H20N2O4S/c1-11(18)12-7-9-14(10-8-12)22(20,21)17-15(19)16-13-5-3-2-4-6-13/h7-10,13H,2-6H2,1H3,(H2,16,17,19) | | Synonyms: | acetohexamide | | Definition date: | 2023-04-21 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 1-cyclohexyl-3-(4-ethanoylphenyl)sulfonyl-urea |
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 | | YRV | | Name: | S-[(3-methylphenyl)methyl]-L-cysteine | | Formula: | C11 H15 N O2 S | | SMILES: | O=C(O)C(N)CSCc1cccc(C)c1 | | InChi: | InChI=1S/C11H15NO2S/c1-8-3-2-4-9(5-8)6-15-7-10(12)11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2021-03-29 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | S-[(3-methylphenyl)methyl]-L-cysteine |
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 | | WVQ | | Name: | N-[(5E)-2-amino-5-(formylimino)-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine | | Formula: | C10 H14 N5 O8 P | | SMILES: | O=P(O)(O)OCC1OC(NC2=NC(N)=NC(=O)C/2=NC=O)CC1O | | InChi: | InChI=1S/C10H14N5O8P/c11-10-14-8(7(12-3-16)9(18)15-10)13-6-1-4(17)5(23-6)2-22-24(19,20)21/h3-6,17H,1-2H2,(H2,19,20,21)(H3,11,13,14,15,18)/b12-7+/t4-,5+,6+/m0/s1 | | Definition date: | 2023-10-16 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-[(5E)-2-amino-5-(formylimino)-6-oxo-5,6-dihydropyrimidin-4-yl]-2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosylamine |
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 | | VI1 | | Name: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid | | Formula: | C20 H27 N O5 S | | SMILES: | O=C(O)C1CCCCC1C(=O)Nc1sc2CCCCCCc2c1C(=O)OC | | InChi: | InChI=1S/C20H27NO5S/c1-26-20(25)16-14-10-4-2-3-5-11-15(14)27-18(16)21-17(22)12-8-6-7-9-13(12)19(23)24/h12-13H,2-11H2,1H3,(H,21,22)(H,23,24)/t12-,13-/m1/s1 | | Definition date: | 2023-09-12 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | (1R,2R)-2-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]carbamoyl}cyclohexane-1-carboxylic acid |
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 | | TV0 | | Name: | 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one | | Formula: | C9 H13 N3 O5 S | | SMILES: | NC1=NC(=O)N(C=C1)[CH]2S[C](O)(CO)[CH](O)[CH]2O | | InChi: | InChI=1S/C9H13N3O5S/c10-4-1-2-12(8(16)11-4)7-5(14)6(15)9(17,3-13)18-7/h1-2,5-7,13-15,17H,3H2,(H2,10,11,16)/t5-,6+,7-,9+/m1/s1 | | Definition date: | 2023-04-29 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 4-azanyl-1-[(2~{R},3~{R},4~{S},5~{S})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)thiolan-2-yl]pyrimidin-2-one |
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 | | VY8 | | Name: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea | | Formula: | C12 H19 N3 O S | | SMILES: | COc1ccccc1NC(=S)NCCN(C)C | | InChi: | InChI=1S/C12H19N3OS/c1-15(2)9-8-13-12(17)14-10-6-4-5-7-11(10)16-3/h4-7H,8-9H2,1-3H3,(H2,13,14,17) | | Definition date: | 2023-04-13 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 1-[2-(dimethylamino)ethyl]-3-(2-methoxyphenyl)thiourea |
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 | | WXU | | Name: | 3-hydroxy-3-methyl-2-oxobutanoic acid | | Formula: | C5 H8 O4 | | SMILES: | O=C(O)C(=O)C(C)(C)O | | InChi: | InChI=1S/C5H8O4/c1-5(2,9)3(6)4(7)8/h9H,1-2H3,(H,7,8) | | Definition date: | 2023-05-22 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 3-hydroxy-3-methyl-2-oxobutanoic acid |
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 | | QU0 | | Name: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide | | Formula: | C25 H34 N4 O4 S | | SMILES: | CN(C)c1nc(CC(O)C(Cc2ccccc2)NS(=O)(=O)c2ccc(cc2)C(C)(C)CC)on1 | | InChi: | InChI=1S/C25H34N4O4S/c1-6-25(2,3)19-12-14-20(15-13-19)34(31,32)28-21(16-18-10-8-7-9-11-18)22(30)17-23-26-24(27-33-23)29(4)5/h7-15,21-22,28,30H,6,16-17H2,1-5H3/t21-,22-/m0/s1 | | Definition date: | 2023-08-21 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-{(2S,3S)-4-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]-3-hydroxy-1-phenylbutan-2-yl}-4-(2-methylbutan-2-yl)benzene-1-sulfonamide |
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 | | A1AAR | | Name: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide | | Formula: | C20 H24 N4 O3 | | SMILES: | CC1CCC(c2ccc(O)cc2)N(C1)C(=O)C(=O)Nc1cc(C)c(N)nc1 | | InChi: | InChI=1S/C20H24N4O3/c1-12-3-8-17(14-4-6-16(25)7-5-14)24(11-12)20(27)19(26)23-15-9-13(2)18(21)22-10-15/h4-7,9-10,12,17,25H,3,8,11H2,1-2H3,(H2,21,22)(H,23,26)/t12-,17+/m0/s1 | | Definition date: | 2023-12-30 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(4-hydroxyphenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
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 | | A1AAU | | Name: | 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide | | Formula: | C20 H22 N4 O3 | | SMILES: | CC1CCC(c2ccccc2)N(C1)C(=O)C(=O)Nc1cc(cnc1)C(N)=O | | InChi: | InChI=1S/C20H22N4O3/c1-13-7-8-17(14-5-3-2-4-6-14)24(12-13)20(27)19(26)23-16-9-15(18(21)25)10-22-11-16/h2-6,9-11,13,17H,7-8,12H2,1H3,(H2,21,25)(H,23,26)/t13-,17+/m0/s1 | | Definition date: | 2023-12-31 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | 5-{2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl](oxo)acetamido}pyridine-3-carboxamide |
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 | | A1AAV | | Name: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide | | Formula: | C21 H23 N5 O2 S | | SMILES: | Cc1cc(cnc1N)NC(=O)C(=O)N1CC(C)CCC1c1cc2ncsc2cc1 | | InChi: | InChI=1S/C21H23N5O2S/c1-12-3-5-17(14-4-6-18-16(8-14)24-11-29-18)26(10-12)21(28)20(27)25-15-7-13(2)19(22)23-9-15/h4,6-9,11-12,17H,3,5,10H2,1-2H3,(H2,22,23)(H,25,27)/t12-,17+/m0/s1 | | Synonyms: | TNG908 | | Definition date: | 2023-12-31 | | Last modified: | 2024-04-19 | | Release date: | 2024-04-24 | | Identifier: | N-(6-amino-5-methylpyridin-3-yl)-2-[(2R,5S)-2-(1,3-benzothiazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide |
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