 | | WFH | | Name: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoic acid (non-preferred name) | | Formula: | C13 H19 N6 O8 P | | SMILES: | O=C(O)C(C)NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C13H19N6O8P/c1-5(13(22)23)18-28(24,25)26-2-6-8(20)9(21)12(27-6)19-4-17-7-10(14)15-3-16-11(7)19/h3-6,8-9,12,20-21H,2H2,1H3,(H,22,23)(H2,14,15,16)(H2,18,24,25)/t5-,6+,8+,9+,12+/m0/s1 | | Synonyms: | Alanyl-5'-O-adenosine phosphoramidate | | Definition date: | 2023-10-02 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}propanoic acid (non-preferred name) |
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 | | WFL | | Name: | 5'-O-[(R)-(butylamino)(hydroxy)phosphoryl]adenosine | | Formula: | C14 H23 N6 O6 P | | SMILES: | CCCCNP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C14H23N6O6P/c1-2-3-4-19-27(23,24)25-5-8-10(21)11(22)14(26-8)20-7-18-9-12(15)16-6-17-13(9)20/h6-8,10-11,14,21-22H,2-5H2,1H3,(H2,15,16,17)(H2,19,23,24)/t8-,10-,11-,14-/m1/s1 | | Definition date: | 2023-10-02 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 5'-O-[(R)-(butylamino)(hydroxy)phosphoryl]adenosine |
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 | | WFU | | Name: | (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}pentanedioic acid (non-preferred name) | | Formula: | C15 H21 N6 O10 P | | SMILES: | O=C(O)C(CCC(=O)O)NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C15H21N6O10P/c16-12-9-13(18-4-17-12)21(5-19-9)14-11(25)10(24)7(31-14)3-30-32(28,29)20-6(15(26)27)1-2-8(22)23/h4-7,10-11,14,24-25H,1-3H2,(H,22,23)(H,26,27)(H2,16,17,18)(H2,20,28,29)/t6-,7+,10+,11+,14+/m0/s1 | | Synonyms: | Glutamyl-5'-O-adenosine phosphoramidate | | Definition date: | 2023-10-03 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (2S)-2-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}pentanedioic acid (non-preferred name) |
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 | | WHK | | Name: | 1-[1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinin-7-yl]-3-(phenylmethyl)thiourea | | Formula: | C16 H18 B N2 O3 S | | SMILES: | O[B]1(O)OCCc2ccc(NC(=S)NCc3ccccc3)cc12 | | InChi: | InChI=1S/C16H18BN2O3S/c20-17(21)15-10-14(7-6-13(15)8-9-22-17)19-16(23)18-11-12-4-2-1-3-5-12/h1-7,10,20-21H,8-9,11H2,(H2,18,19,23) | | Definition date: | 2023-10-04 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 1-[1,1-bis(oxidanyl)-3,4-dihydro-2,1$l^{4}-benzoxaborinin-7-yl]-3-(phenylmethyl)thiourea |
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 | | R60 | | Name: | 7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide | | Formula: | C11 H10 F N O2 | | SMILES: | CN(C)C(=O)c1oc2c(F)cccc2c1 | | InChi: | InChI=1S/C11H10FNO2/c1-13(2)11(14)9-6-7-4-3-5-8(12)10(7)15-9/h3-6H,1-2H3 | | Definition date: | 2023-08-30 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 7-fluoranyl-~{N},~{N}-dimethyl-1-benzofuran-2-carboxamide |
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 | | WJE | | Name: | (4~{Z})-7,9-bis(bromanyl)-8-oxidanyl-4-(phenylazanylmethylidene)-1,2-dihydrodibenzofuran-3-one | | Formula: | C19 H13 Br2 N O3 | | SMILES: | Oc1c(Br)cc2oc3c(CCC(=O)C3=CNc4ccccc4)c2c1Br | | InChi: | InChI=1S/C19H13Br2NO3/c20-13-8-15-16(17(21)18(13)24)11-6-7-14(23)12(19(11)25-15)9-22-10-4-2-1-3-5-10/h1-5,8-9,22,24H,6-7H2 | | Definition date: | 2023-10-05 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (4~{Z})-7,9-bis(bromanyl)-8-oxidanyl-4-(phenylazanylmethylidene)-1,2-dihydrodibenzofuran-3-one |
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 | | X1K | | Name: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione | | Formula: | C20 H31 N O4 | | SMILES: | CC1(C)CCC[C]2(C)[CH](C[CH](O)[CH]3CC(=O)NC3=O)C(=C)[CH](O)C[CH]12 | | InChi: | InChI=1S/C20H31NO4/c1-11-13(9-15(23)12-8-17(24)21-18(12)25)20(4)7-5-6-19(2,3)16(20)10-14(11)22/h12-16,22-23H,1,5-10H2,2-4H3,(H,21,24,25)/t12-,13+,14+,15+,16+,20-/m1/s1 | | Definition date: | 2023-05-30 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (3~{R})-3-[(1~{S})-2-[(1~{R},3~{S},4~{a}~{S},8~{a}~{S})-5,5,8~{a}-trimethyl-2-methylidene-3-oxidanyl-3,4,4~{a},6,7,8-hexahydro-1~{H}-naphthalen-1-yl]-1-oxidanyl-ethyl]pyrrolidine-2,5-dione |
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 | | XI5 | | Name: | [(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid | | Formula: | C19 H29 N2 O6 P | | SMILES: | CC(C)C[CH](C(=O)N[CH](C(C)C)C(=O)Nc1ccc(cc1)C(C)=O)[P](O)(O)=O | | InChi: | InChI=1S/C19H29N2O6P/c1-11(2)10-16(28(25,26)27)18(23)21-17(12(3)4)19(24)20-15-8-6-14(7-9-15)13(5)22/h6-9,11-12,16-17H,10H2,1-5H3,(H,20,24)(H,21,23)(H2,25,26,27)/t16-,17-/m0/s1 | | Definition date: | 2023-11-02 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | [(2~{S})-1-[[1-[(4-ethanoylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]phosphonic acid |
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 | | WKK | | Name: | 1-benzothiophen-3-ylboronic acid | | Formula: | C8 H7 B O2 S | | SMILES: | OB(O)c1csc2ccccc21 | | InChi: | InChI=1S/C8H7BO2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h1-5,10-11H | | Definition date: | 2023-10-06 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 1-benzothiophen-3-ylboronic acid |
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 | | X6Z | | Name: | [(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate | | Formula: | C7 H15 O9 P | | SMILES: | CO[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O | | InChi: | InChI=1S/C7H15O9P/c1-14-6-5(9)4(8)3(16-7(6)10)2-15-17(11,12)13/h3-10H,2H2,1H3,(H2,11,12,13)/t3-,4-,5+,6+,7+/m1/s1 | | Definition date: | 2023-10-24 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | [(2~{R},3~{S},4~{S},5~{S})-5-methoxy-3,4,6-tris(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate |
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 | | KDU | | Name: | (1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine | | Formula: | C19 H14 Cl2 N6 O | | SMILES: | Clc1cccc(c1Cl)n1nnnc1NCc1ccccc1Oc1ccccn1 | | InChi: | InChI=1S/C19H14Cl2N6O/c20-14-7-5-8-15(18(14)21)27-19(24-25-26-27)23-12-13-6-1-2-9-16(13)28-17-10-3-4-11-22-17/h1-11H,12H2,(H,23,24,26) | | Definition date: | 2023-08-10 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (1P)-1-(2,3-dichlorophenyl)-N-({2-[(pyridin-2-yl)oxy]phenyl}methyl)-1H-tetrazol-5-amine |
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 | | KE3 | | Name: | 3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine | | Formula: | C13 H13 Cl2 N5 | | SMILES: | Clc1cccc(c1Cl)C1NNNN1Cc1cccnc1 | | InChi: | InChI=1S/C13H13Cl2N5/c14-11-5-1-4-10(12(11)15)13-17-18-19-20(13)8-9-3-2-6-16-7-9/h1-7,13,17-19H,8H2/t13-/m1/s1 | | Definition date: | 2023-08-10 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 3-{[(5R)-5-(2,3-dichlorophenyl)tetrazolidin-1-yl]methyl}pyridine |
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 | | KEI | | Name: | N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide | | Formula: | C24 H35 Cl N2 O2 | | SMILES: | OCCCNCCCc1cc(c(Cl)cc1)C(=O)NCC12CC3CC(C1)CC(C2)C3 | | InChi: | InChI=1S/C24H35ClN2O2/c25-22-5-4-17(3-1-6-26-7-2-8-28)12-21(22)23(29)27-16-24-13-18-9-19(14-24)11-20(10-18)15-24/h4-5,12,18-20,26,28H,1-3,6-11,13-16H2,(H,27,29)/t18-,19+,20-,24- | | Definition date: | 2023-08-11 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | N-{[(3s,5s,7s)-adamantan-1-yl]methyl}-2-chloro-5-{3-[(3-hydroxypropyl)amino]propyl}benzamide |
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 | | KF0 | | Name: | N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide | | Formula: | C14 H14 Cl F3 N2 O2 | | SMILES: | O=C1CCC(C(=O)NCc2cccc(c2Cl)C(F)(F)F)N1C | | InChi: | InChI=1S/C14H14ClF3N2O2/c1-20-10(5-6-11(20)21)13(22)19-7-8-3-2-4-9(12(8)15)14(16,17)18/h2-4,10H,5-7H2,1H3,(H,19,22)/t10-/m0/s1 | | Definition date: | 2023-08-11 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | N-{[2-chloro-3-(trifluoromethyl)phenyl]methyl}-1-methyl-5-oxo-L-prolinamide |
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 | | KFM | | Name: | 4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid) | | Formula: | C37 H31 N3 O9 S3 | | SMILES: | OS(=O)(=O)c1ccc(Nc2ccc(cc2)C(c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)c2ccc(Nc3ccc(cc3)S(=O)(=O)O)cc2)cc1 | | InChi: | InChI=1S/C37H31N3O9S3/c41-50(42,43)34-19-13-31(14-20-34)38-28-7-1-25(2-8-28)37(26-3-9-29(10-4-26)39-32-15-21-35(22-16-32)51(44,45)46)27-5-11-30(12-6-27)40-33-17-23-36(24-18-33)52(47,48)49/h1-24,37-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49) | | Definition date: | 2023-08-11 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 4,4',4''-[methanetriyltris(4,1-phenyleneazanediyl)]tri(benzene-1-sulfonic acid) |
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 | | A1AUQ | | Name: | (2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide | | Formula: | C23 H29 N7 O4 S2 | | SMILES: | O=S(=O)(c1ccc(c(c1S(N)(=O)=O)c1nnn[NH]1)c1ccc(cc1)C1CCNCC1)C1CCNCC1 | | InChi: | InChI=1S/C23H29N7O4S2/c24-36(33,34)22-20(35(31,32)18-9-13-26-14-10-18)6-5-19(21(22)23-27-29-30-28-23)17-3-1-15(2-4-17)16-7-11-25-12-8-16/h1-6,16,18,25-26H,7-14H2,(H2,24,33,34)(H,27,28,29,30) | | Definition date: | 2024-06-07 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (2M)-4-(piperidine-4-sulfonyl)-4'-(piperidin-4-yl)-2-(1H-tetrazol-5-yl)[1,1'-biphenyl]-3-sulfonamide |
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 | | A1AUY | | Name: | (8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine | | Formula: | C16 H15 F2 N5 | | SMILES: | FC1(F)CCC(CC1)c1cnn2ccc(nc12)c1ncccn1 | | InChi: | InChI=1S/C16H15F2N5/c17-16(18)5-2-11(3-6-16)12-10-21-23-9-4-13(22-15(12)23)14-19-7-1-8-20-14/h1,4,7-11H,2-3,5-6H2 | | Definition date: | 2024-06-12 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (8S)-3-(4,4-difluorocyclohexyl)-5-(pyrimidin-2-yl)pyrazolo[1,5-a]pyrimidine |
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 | | A1BA4 | | Name: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}-3-(1H-imidazol-4-yl)propanoic acid (non-preferred name) | | Formula: | C16 H21 N8 O8 P | | SMILES: | O=C(O)C(Cc1c[NH]cn1)NP(=O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1O | | InChi: | InChI=1S/C16H21N8O8P/c17-13-10-14(21-5-20-13)24(6-22-10)15-12(26)11(25)9(32-15)3-31-33(29,30)23-8(16(27)28)1-7-2-18-4-19-7/h2,4-6,8-9,11-12,15,25-26H,1,3H2,(H,18,19)(H,27,28)(H2,17,20,21)(H2,23,29,30)/t8-,9+,11+,12+,15+/m0/s1 | | Synonyms: | Histidine-5'-O-adenosine phosphoramidate | | Definition date: | 2024-09-27 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]amino}-3-(1H-imidazol-4-yl)propanoic acid (non-preferred name) |
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 | | A1BB3 | | Name: | (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one | | Formula: | C11 H13 F N2 O | | SMILES: | Fc1ccccc1N1CCC(NC)C1=O | | InChi: | InChI=1S/C11H13FN2O/c1-13-9-6-7-14(11(9)15)10-5-3-2-4-8(10)12/h2-5,9,13H,6-7H2,1H3 | | Definition date: | 2024-10-03 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one |
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 | | A1BBV | | Name: | N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide | | Formula: | C26 H23 N3 O3 | | SMILES: | N#Cc1cccc(CC(=O)Nc2ccc3c(CCCN3C(=O)c3ccccc3)c2)c1OC | | InChi: | InChI=1S/C26H23N3O3/c1-32-25-20(9-5-10-21(25)17-27)16-24(30)28-22-12-13-23-19(15-22)11-6-14-29(23)26(31)18-7-3-2-4-8-18/h2-5,7-10,12-13,15H,6,11,14,16H2,1H3,(H,28,30) | | Definition date: | 2024-10-01 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | N-(1-benzoyl-1,2,3,4-tetrahydroquinolin-6-yl)-2-(3-cyano-2-methoxyphenyl)acetamide |
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 | | A1BBW | | Name: | N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]-4-[(quinazolin-4-yl)amino]benzamide | | Formula: | C25 H19 N5 O | | SMILES: | N#Cc1cccc2c1CCC2NC(=O)c1ccc(cc1)Nc1ncnc2ccccc21 | | InChi: | InChI=1S/C25H19N5O/c26-14-17-4-3-6-20-19(17)12-13-23(20)30-25(31)16-8-10-18(11-9-16)29-24-21-5-1-2-7-22(21)27-15-28-24/h1-11,15,23H,12-13H2,(H,30,31)(H,27,28,29)/t23-/m1/s1 | | Definition date: | 2024-10-01 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | N-[(1R)-4-cyano-2,3-dihydro-1H-inden-1-yl]-4-[(quinazolin-4-yl)amino]benzamide |
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 | | A1BC0 | | Name: | N,N-dimethyl-L-cysteinamide | | Formula: | C5 H12 N2 O S | | SMILES: | CN(C)C(=O)C(N)CS | | InChi: | InChI=1S/C5H12N2OS/c1-7(2)5(8)4(6)3-9/h4,9H,3,6H2,1-2H3/t4-/m0/s1 | | Definition date: | 2024-10-08 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | N,N-dimethyl-L-cysteinamide |
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 | | A1BCF | | Name: | 1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide | | Formula: | C12 H14 N4 O2 S | | SMILES: | CN(Cc1nccs1)C(=O)C=1C=CC(=O)N(CC)N=1 | | InChi: | InChI=1S/C12H14N4O2S/c1-3-16-11(17)5-4-9(14-16)12(18)15(2)8-10-13-6-7-19-10/h4-7H,3,8H2,1-2H3 | | Definition date: | 2024-10-04 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 1-ethyl-N-methyl-6-oxo-N-[(1,3-thiazol-2-yl)methyl]-1,6-dihydropyridazine-3-carboxamide |
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 | | A1BCM | | Name: | 5-({3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyridin-2-amine | | Formula: | C16 H16 N4 O | | SMILES: | Nc1ccc(cn1)Cc1nc(Cc2ccccc2C)no1 | | InChi: | InChI=1S/C16H16N4O/c1-11-4-2-3-5-13(11)9-15-19-16(21-20-15)8-12-6-7-14(17)18-10-12/h2-7,10H,8-9H2,1H3,(H2,17,18) | | Definition date: | 2024-10-04 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 5-({3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl}methyl)pyridin-2-amine |
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 | | A1BCQ | | Name: | 1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one | | Formula: | C15 H12 Br N3 O2 | | SMILES: | Brc1ccc(cc1)Cc1nc(CN2C=CC=CC2=O)no1 | | InChi: | InChI=1S/C15H12BrN3O2/c16-12-6-4-11(5-7-12)9-14-17-13(18-21-14)10-19-8-2-1-3-15(19)20/h1-8H,9-10H2 | | Definition date: | 2024-10-04 | | Last modified: | 2024-10-11 | | Release date: | 2024-10-16 | | Identifier: | 1-({5-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-3-yl}methyl)pyridin-2(1H)-one |
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