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RDN
RDN
表記:(8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
組成式:C18 H18 N4 O2
SMILES:O=C(O)C1CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12
InChi:InChI=1S/C18H18N4O2/c23-17(24)12-8-22(9-18(12)6-3-7-18)16-14-11-4-1-2-5-13(11)21-15(14)19-10-20-16/h1-2,4-5,10,12H,3,6-9H2,(H,23,24)(H,19,20,21)/t12-/m1/s1
定義日:2022-06-22
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
RDU
RDU
表記:[(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol
組成式:C18 H19 F N4 O2
SMILES:Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(CCC2)OC(C1)CO
InChi:InChI=1S/C18H19FN4O2/c19-11-2-3-13-14(6-11)22-16-15(13)17(21-10-20-16)23-7-12(8-24)25-18(9-23)4-1-5-18/h2-3,6,10,12,24H,1,4-5,7-9H2,(H,20,21,22)/t12-/m1/s1
定義日:2022-06-22
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:[(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol
RF0
RF0
表記:[(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol
組成式:C16 H17 F N4 O3
SMILES:COC1CN(CC(CO)O1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C16H17FN4O3/c1-23-13-6-21(5-10(7-22)24-13)16-14-11-3-2-9(17)4-12(11)20-15(14)18-8-19-16/h2-4,8,10,13,22H,5-7H2,1H3,(H,18,19,20)/t10-,13-/m0/s1
定義日:2022-06-22
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:[(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol
RFI
RFI
表記:3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
組成式:C17 H16 F N5 O2
SMILES:Fc1ccc2c3c([NH]c2c1)ncnc3N1CCC(C1)N1CCOC1=O
InChi:InChI=1S/C17H16FN5O2/c18-10-1-2-12-13(7-10)21-15-14(12)16(20-9-19-15)22-4-3-11(8-22)23-5-6-25-17(23)24/h1-2,7,9,11H,3-6,8H2,(H,19,20,21)/t11-/m0/s1
定義日:2022-06-22
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
RFU
RFU
表記:3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
組成式:C17 H16 F N5 O2
SMILES:Fc1ccc2c3c([NH]c2c1)ncnc3N1CCC(C1)N1CCOC1=O
InChi:InChI=1S/C17H16FN5O2/c18-10-1-2-12-13(7-10)21-15-14(12)16(20-9-19-15)22-4-3-11(8-22)23-5-6-25-17(23)24/h1-2,7,9,11H,3-6,8H2,(H,19,20,21)/t11-/m1/s1
定義日:2022-06-22
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one
RG5
RG5
表記:7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole
組成式:C15 H13 F N8 O
SMILES:Fc1ccc2c3c(ncnc3[NH]c2c1)N1CC(OCC1)c1nnn[NH]1
InChi:InChI=1S/C15H13FN8O/c16-8-1-2-9-10(5-8)19-14-12(9)15(18-7-17-14)24-3-4-25-11(6-24)13-20-22-23-21-13/h1-2,5,7,11H,3-4,6H2,(H,17,18,19)(H,20,21,22,23)/t11-/m1/s1
定義日:2022-06-22
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole
RGF
RGF
表記:(8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
組成式:C18 H17 F N4 O2
SMILES:O=C(O)C1CN(CC21CCC2)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C18H17FN4O2/c19-10-2-3-11-13(6-10)22-15-14(11)16(21-9-20-15)23-7-12(17(24)25)18(8-23)4-1-5-18/h2-3,6,9,12H,1,4-5,7-8H2,(H,24,25)(H,20,21,22)/t12-/m0/s1
定義日:2022-06-22
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
RI3
RI3
表記:(3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid
組成式:C18 H16 F2 N4 O2
SMILES:O=C(O)C1(F)CN(CC1C1CC1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C18H16F2N4O2/c19-10-3-4-11-13(5-10)23-15-14(11)16(22-8-21-15)24-6-12(9-1-2-9)18(20,7-24)17(25)26/h3-5,8-9,12H,1-2,6-7H2,(H,25,26)(H,21,22,23)/t12-,18-/m0/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid
RI7
RI7
表記:methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
組成式:C17 H17 F N4 O3
SMILES:O=C(OC)CC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C17H17FN4O3/c1-24-14(23)7-11-8-22(4-5-25-11)17-15-12-3-2-10(18)6-13(12)21-16(15)19-9-20-17/h2-3,6,9,11H,4-5,7-8H2,1H3,(H,19,20,21)/t11-/m0/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate
RIK
RIK
表記:3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid
組成式:C17 H17 F N4 O3
SMILES:O=C(O)CCC1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C17H17FN4O3/c18-10-1-3-12-13(7-10)21-16-15(12)17(20-9-19-16)22-5-6-25-11(8-22)2-4-14(23)24/h1,3,7,9,11H,2,4-6,8H2,(H,23,24)(H,19,20,21)/t11-/m1/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid
RIW
RIW
表記:1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one
組成式:C14 H12 F N5 O
SMILES:Fc1ccc2c3c(ncnc3[NH]c2c1)NN1CCCC1=O
InChi:InChI=1S/C14H12FN5O/c15-8-3-4-9-10(6-8)18-13-12(9)14(17-7-16-13)19-20-5-1-2-11(20)21/h3-4,6-7H,1-2,5H2,(H2,16,17,18,19)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one
RIZ
RIZ
表記:(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid
組成式:C17 H17 F N4 O2
SMILES:O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C17H17FN4O2/c18-9-5-6-10-13(7-9)22-16-14(10)15(19-8-20-16)21-12-4-2-1-3-11(12)17(23)24/h5-8,11-12H,1-4H2,(H,23,24)(H2,19,20,21,22)/t11-,12+/m1/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid
RJ9
RJ9
表記:(1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid
組成式:C17 H17 F N4 O2
SMILES:O=C(O)C1CCCCC1Nc1ncnc2[NH]c3cc(F)ccc3c12
InChi:InChI=1S/C17H17FN4O2/c18-9-5-6-10-13(7-9)22-16-14(10)15(19-8-20-16)21-12-4-2-1-3-11(12)17(23)24/h5-8,11-12H,1-4H2,(H,23,24)(H2,19,20,21,22)/t11-,12+/m0/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid
RJL
RJL
表記:3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide
組成式:C15 H16 N4 O4
SMILES:Oc1cccnc1C(=O)NCCNC(=O)c1cc(OC)cnc1
InChi:InChI=1S/C15H16N4O4/c1-23-11-7-10(8-16-9-11)14(21)18-5-6-19-15(22)13-12(20)3-2-4-17-13/h2-4,7-9,20H,5-6H2,1H3,(H,18,21)(H,19,22)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide
RJS
RJS
表記:(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
組成式:C15 H11 Br F N3 O3 S
SMILES:Brc1ccc(cc1F)CS(=O)(=O)NC(=O)c1cnn2ccccc12
InChi:InChI=1S/C15H11BrFN3O3S/c16-12-5-4-10(7-13(12)17)9-24(22,23)19-15(21)11-8-18-20-6-2-1-3-14(11)20/h1-8H,9H2,(H,19,21)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide
RK0
RK0
表記:N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide
組成式:C14 H14 N4 O3 S2
SMILES:Cc1nc(NC(=O)C)sc1S(=O)(=O)Nc1cc(C#N)c(C)cc1
InChi:InChI=1S/C14H14N4O3S2/c1-8-4-5-12(6-11(8)7-15)18-23(20,21)13-9(2)16-14(22-13)17-10(3)19/h4-6,18H,1-3H3,(H,16,17,19)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide
RK9
RK9
表記:N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide
組成式:C14 H14 N4 O3 S2
SMILES:Cc1nc(NC(=O)CC)sc1S(=O)(=O)Nc1cc(C#N)ccc1
InChi:InChI=1S/C14H14N4O3S2/c1-3-12(19)17-14-16-9(2)13(22-14)23(20,21)18-11-6-4-5-10(7-11)8-15/h4-7,18H,3H2,1-2H3,(H,16,17,19)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide
RKI
RKI
表記:(3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid
組成式:C16 H13 N3 O3 S
SMILES:O=C(O)Cc1cccc(c1)CNC(=O)c1ncnc2ccsc12
InChi:InChI=1S/C16H13N3O3S/c20-13(21)7-10-2-1-3-11(6-10)8-17-16(22)14-15-12(4-5-23-15)18-9-19-14/h1-6,9H,7-8H2,(H,17,22)(H,20,21)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid
RKU
RKU
表記:(3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid
組成式:C17 H13 Br F N3 O3
SMILES:Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1cc(F)cc2[NH]cnc12
InChi:InChI=1S/C17H13BrFN3O3/c18-10-3-1-9(2-4-10)13(7-15(23)24)22-17(25)12-5-11(19)6-14-16(12)21-8-20-14/h1-6,8,13H,7H2,(H,20,21)(H,22,25)(H,23,24)/t13-/m0/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid
RL5
RL5
表記:1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid
組成式:C12 H15 N5 O3 S
SMILES:CCNc1ncc(s1)C(=O)NCCn1cc(nc1)C(=O)O
InChi:InChI=1S/C12H15N5O3S/c1-2-13-12-15-5-9(21-12)10(18)14-3-4-17-6-8(11(19)20)16-7-17/h5-7H,2-4H2,1H3,(H,13,15)(H,14,18)(H,19,20)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid
RL9
RL9
表記:4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid
組成式:C17 H13 F N2 O3
SMILES:O=C(O)c1cc(CNC(=O)c2cc3cc[NH]c3cc2)c(F)cc1
InChi:InChI=1S/C17H13FN2O3/c18-14-3-1-12(17(22)23)8-13(14)9-20-16(21)11-2-4-15-10(7-11)5-6-19-15/h1-8,19H,9H2,(H,20,21)(H,22,23)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid
RLN
RLN
表記:(4-{[(thieno[3,2-b]pyridine-7-carbonyl)amino]methyl}phenyl)acetic acid
組成式:C17 H14 N2 O3 S
SMILES:O=C(O)Cc1ccc(cc1)CNC(=O)c1ccnc2ccsc12
InChi:InChI=1S/C17H14N2O3S/c20-15(21)9-11-1-3-12(4-2-11)10-19-17(22)13-5-7-18-14-6-8-23-16(13)14/h1-8H,9-10H2,(H,19,22)(H,20,21)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(4-{[(thieno[3,2-b]pyridine-7-carbonyl)amino]methyl}phenyl)acetic acid
RLU
RLU
表記:(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
組成式:C16 H13 Br N4 O3
SMILES:Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12
InChi:InChI=1S/C16H13BrN4O3/c17-10-3-1-9(2-4-10)12(7-13(22)23)21-16(24)14-11-5-6-18-15(11)20-8-19-14/h1-6,8,12H,7H2,(H,21,24)(H,22,23)(H,18,19,20)/t12-/m1/s1
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
RM6
RM6
表記:[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
組成式:C15 H16 N2 O3 S
SMILES:O=C(O)CC1CC(C1)CNC(=O)c1cc2ccsc2cn1
InChi:InChI=1S/C15H16N2O3S/c18-14(19)5-9-3-10(4-9)7-17-15(20)12-6-11-1-2-21-13(11)8-16-12/h1-2,6,8-10H,3-5,7H2,(H,17,20)(H,18,19)/t9-,10-
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid
RMU
RMU
表記:4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide
組成式:C12 H9 Cl N4 O4 S
SMILES:O=S(=O)(Nc1cc(C#N)c(Cl)nc1)c1cc(oc1C)C(N)=O
InChi:InChI=1S/C12H9ClN4O4S/c1-6-10(3-9(21-6)12(15)18)22(19,20)17-8-2-7(4-14)11(13)16-5-8/h2-3,5,17H,1H3,(H2,15,18)
定義日:2022-06-23
最終更新日:2022-07-01
公開日:2022-07-06
識別子（ID）:4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide

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