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XOA
XOA
表記:(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one
組成式:C25 H28 Br Cl N4 O
SMILES:c4cc(N1C(CN(C(CCCC)C1)Cc2n(cnc2)Cc3ccc(Br)cc3)=O)cc(c4)Cl
InChi:InChI=1S/C25H28BrClN4O/c1-2-3-6-23-16-31(22-7-4-5-21(27)12-22)25(32)17-29(23)15-24-13-28-18-30(24)14-19-8-10-20(26)11-9-19/h4-5,7-13,18,23H,2-3,6,14-17H2,1H3/t23-/m0/s1
定義日:2020-12-22
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(5S)-4-({1-[(4-bromophenyl)methyl]-1H-imidazol-5-yl}methyl)-5-butyl-1-(3-chlorophenyl)piperazin-2-one
WW0
WW0
表記:2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide
組成式:C12 H16 N4 O2
SMILES:CCC(CC)NC(=O)c1ccnc2[NH]c(O)nc12
InChi:InChI=1S/C12H16N4O2/c1-3-7(4-2)14-11(17)8-5-6-13-10-9(8)15-12(18)16-10/h5-7H,3-4H2,1-2H3,(H,14,17)(H2,13,15,16,18)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide
WWC
WWC
表記:1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide
組成式:C10 H12 N6 O
SMILES:CC1(CC1)C(=O)NNc1ncnc2nc[NH]c12
InChi:InChI=1S/C10H12N6O/c1-10(2-3-10)9(17)16-15-8-6-7(12-4-11-6)13-5-14-8/h4-5H,2-3H2,1H3,(H,16,17)(H2,11,12,13,14,15)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide
WWH
WWH
表記:3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide
組成式:C18 H28 N6 O
SMILES:CCC(NC(=O)CCC1CCCCC1)CNc1ncnc2[NH]cnc21
InChi:InChI=1S/C18H28N6O/c1-2-14(24-15(25)9-8-13-6-4-3-5-7-13)10-19-17-16-18(21-11-20-16)23-12-22-17/h11-14H,2-10H2,1H3,(H,24,25)(H2,19,20,21,22,23)/t14-/m0/s1
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide
WWN
WWN
表記:2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide
組成式:C17 H26 N6 O
SMILES:CCC(NC(=O)CC1CCCCC1)CNc1ncnc2nc[NH]c12
InChi:InChI=1S/C17H26N6O/c1-2-13(23-14(24)8-12-6-4-3-5-7-12)9-18-16-15-17(20-10-19-15)22-11-21-16/h10-13H,2-9H2,1H3,(H,23,24)(H2,18,19,20,21,22)/t13-/m0/s1
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide
WWT
WWT
表記:2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide
組成式:C10 H12 N4 O2
SMILES:CCCNC(=O)c1ccnc2[NH]c(O)nc12
InChi:InChI=1S/C10H12N4O2/c1-2-4-12-9(15)6-3-5-11-8-7(6)13-10(16)14-8/h3,5H,2,4H2,1H3,(H,12,15)(H2,11,13,14,16)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide
WX6
WX6
表記:(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone
組成式:C13 H16 N4 O2
SMILES:O=C(c1ccnc2[NH]c(O)nc21)N1CCCCCC1
InChi:InChI=1S/C13H16N4O2/c18-12(17-7-3-1-2-4-8-17)9-5-6-14-11-10(9)15-13(19)16-11/h5-6H,1-4,7-8H2,(H2,14,15,16,19)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone
WXB
WXB
表記:6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
組成式:C14 H16 N4 O3
SMILES:O=C(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1
InChi:InChI=1S/C14H16N4O3/c19-12-10-7-9(8-15-11(10)16-14(21)17-12)13(20)18-5-3-1-2-4-6-18/h7-8H,1-6H2,(H2,15,16,17,19,21)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
WXF
WXF
表記:(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone
組成式:C12 H14 N4 O3
SMILES:CC1CN(CCO1)C(=O)c1ccnc2[NH]c(O)nc21
InChi:InChI=1S/C12H14N4O3/c1-7-6-16(4-5-19-7)11(17)8-2-3-13-10-9(8)14-12(18)15-10/h2-3,7H,4-6H2,1H3,(H2,13,14,15,18)/t7-/m1/s1
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone
ZGY
ZGY
表記:2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide
組成式:C19 H15 Br F N7 O3 S
SMILES:NC(=O)c1c(F)cccc1Nc1nc(Nc2ccc(cc2)S(=O)(=O)NCC#N)ncc1Br
InChi:InChI=1S/C19H15BrFN7O3S/c20-13-10-24-19(26-11-4-6-12(7-5-11)32(30,31)25-9-8-22)28-18(13)27-15-3-1-2-14(21)16(15)17(23)29/h1-7,10,25H,9H2,(H2,23,29)(H2,24,26,27,28)
定義日:2021-04-27
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:2-[(5-bromo-2-{4-[(cyanomethyl)sulfamoyl]anilino}pyrimidin-4-yl)amino]-6-fluorobenzamide
WXK
WXK
表記:N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide
組成式:C11 H12 N4 O4 S
SMILES:CC1(CC1)NS(=O)(=O)c1cnc2NC(=O)NC(=O)c2c1
InChi:InChI=1S/C11H12N4O4S/c1-11(2-3-11)15-20(18,19)6-4-7-8(12-5-6)13-10(17)14-9(7)16/h4-5,15H,2-3H2,1H3,(H2,12,13,14,16,17)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide
WXO
WXO
表記:6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
組成式:C13 H16 N4 O4 S
SMILES:O=S(=O)(c1cc2C(=O)NC(=O)Nc2nc1)N1CCCCCC1
InChi:InChI=1S/C13H16N4O4S/c18-12-10-7-9(8-14-11(10)15-13(19)16-12)22(20,21)17-5-3-1-2-4-6-17/h7-8H,1-6H2,(H2,14,15,16,18,19)
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
WXT
WXT
表記:1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide
組成式:C16 H24 N6 O
SMILES:CC1(CCC1)C(=O)NCC(Nc1ncnc2[NH]cnc21)C(C)C
InChi:InChI=1S/C16H24N6O/c1-10(2)11(7-17-15(23)16(3)5-4-6-16)22-14-12-13(19-8-18-12)20-9-21-14/h8-11H,4-7H2,1-3H3,(H,17,23)(H2,18,19,20,21,22)/t11-/m1/s1
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide
WXX
WXX
表記:3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide
組成式:C18 H28 N6 O
SMILES:CCC(CNC(=O)CCC1CCCCC1)Nc1ncnc2[NH]ncc12
InChi:InChI=1S/C18H28N6O/c1-2-14(23-17-15-11-22-24-18(15)21-12-20-17)10-19-16(25)9-8-13-6-4-3-5-7-13/h11-14H,2-10H2,1H3,(H,19,25)(H2,20,21,22,23,24)/t14-/m1/s1
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide
WY6
WY6
表記:3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide
組成式:C18 H22 N6 O
SMILES:CCC(NC(=O)CCc1ccccc1)CNc1ncnc2nc[NH]c12
InChi:InChI=1S/C18H22N6O/c1-2-14(24-15(25)9-8-13-6-4-3-5-7-13)10-19-17-16-18(21-11-20-16)23-12-22-17/h3-7,11-12,14H,2,8-10H2,1H3,(H,24,25)(H2,19,20,21,22,23)/t14-/m0/s1
定義日:2022-10-21
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide
WYI
WYI
表記:(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate
組成式:C27 H36 N10 O3
SMILES:CC(C)(C)c1cc(nn1C)Nc1nc(nc2[NH]ncc12)NC(COC(=O)N1CC(CN)OCC1)c1ccccc1
InChi:InChI=1S/C27H36N10O3/c1-27(2,3)21-12-22(35-36(21)4)31-23-19-14-29-34-24(19)33-25(32-23)30-20(17-8-6-5-7-9-17)16-40-26(38)37-10-11-39-18(13-28)15-37/h5-9,12,14,18,20H,10-11,13,15-16,28H2,1-4H3,(H3,29,30,31,32,33,34,35)/t18-,20+/m1/s1
定義日:2022-10-24
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:(2R)-2-({4-[(5-tert-butyl-1-methyl-1H-pyrazol-3-yl)amino]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}amino)-2-phenylethyl (2R)-2-(aminomethyl)morpholine-4-carboxylate
WH2
WH2
表記:N-[(3-methoxythiophen-2-yl)methyl]-2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethan-1-amine
組成式:C22 H30 N2 O2 S
SMILES:COc1ccsc1CNCCC1(CC2(CCCC2)OCC1)c1ccccn1
InChi:InChI=1S/C22H30N2O2S/c1-25-18-7-15-27-19(18)16-23-13-10-21(20-6-2-5-12-24-20)11-14-26-22(17-21)8-3-4-9-22/h2,5-7,12,15,23H,3-4,8-11,13-14,16-17H2,1H3/t21-/m1/s1
定義日:2022-09-09
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-[(3-methoxythiophen-2-yl)methyl]-2-[(9R)-9-(pyridin-2-yl)-6-oxaspiro[4.5]decan-9-yl]ethan-1-amine
WH9
WH9
表記:5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
組成式:C19 H18 Cl3 N3 O
SMILES:Clc1cc2NC(=O)N(C3CCN(Cc4ccc(Cl)cc4)CC3)c2cc1Cl
InChi:InChI=1S/C19H18Cl3N3O/c20-13-3-1-12(2-4-13)11-24-7-5-14(6-8-24)25-18-10-16(22)15(21)9-17(18)23-19(25)26/h1-4,9-10,14H,5-8,11H2,(H,23,26)
定義日:2022-09-09
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:5,6-dichloro-1-{1-[(4-chlorophenyl)methyl]piperidin-4-yl}-1,3-dihydro-2H-benzimidazol-2-one
C3I
C3I
表記:N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
組成式:C22 H26 N2 O3
SMILES:O=C(N(C)CC(=O)Nc1ccc(OC)cc1)C1(CCCC1)c1ccccc1
InChi:InChI=1S/C22H26N2O3/c1-24(16-20(25)23-18-10-12-19(27-2)13-11-18)21(26)22(14-6-7-15-22)17-8-4-3-5-9-17/h3-5,8-13H,6-7,14-16H2,1-2H3,(H,23,25)
定義日:2021-11-18
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylcyclopentane-1-carboxamide
TQF
TQF
表記:[(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
組成式:C29 H30 N2 O3
SMILES:CCN1CC(C1)Oc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:InChI=1S/C29H30N2O3/c1-2-30-18-25(19-30)34-24-11-8-20(9-12-24)27-26-13-10-23(32)16-22(26)17-29(14-15-29)31(27)28(33)21-6-4-3-5-7-21/h3-13,16,25,27,32H,2,14-15,17-19H2,1H3/t27-/m1/s1
定義日:2022-07-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:[(1'R)-1'-{4-[(1-ethylazetidin-3-yl)oxy]phenyl}-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
TS7
TS7
表記:[(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
組成式:C30 H32 N2 O3
SMILES:CCCN1CC(C1)Oc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:InChI=1S/C30H32N2O3/c1-2-16-31-19-26(20-31)35-25-11-8-21(9-12-25)28-27-13-10-24(33)17-23(27)18-30(14-15-30)32(28)29(34)22-6-4-3-5-7-22/h3-13,17,26,28,33H,2,14-16,18-20H2,1H3/t28-/m1/s1
定義日:2022-07-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:[(1'R)-6'-hydroxy-1'-{4-[(1-propylazetidin-3-yl)oxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
TT5
TT5
表記:[(1'R)-6'-hydroxy-1'-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
組成式:C31 H34 N2 O3
SMILES:Oc1cc2CC3(CC3)N(C(c2cc1)c1ccc(OCCN2CCCCC2)cc1)C(=O)c1ccccc1
InChi:InChI=1S/C31H34N2O3/c34-26-11-14-28-25(21-26)22-31(15-16-31)33(30(35)24-7-3-1-4-8-24)29(28)23-9-12-27(13-10-23)36-20-19-32-17-5-2-6-18-32/h1,3-4,7-14,21,29,34H,2,5-6,15-20,22H2/t29-/m1/s1
定義日:2022-07-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:[(1'R)-6'-hydroxy-1'-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
TU9
TU9
表記:[(1'R)-1'-(4-{[(3R)-1-ethylpyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
組成式:C31 H34 N2 O3
SMILES:CCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:InChI=1S/C31H34N2O3/c1-2-32-17-14-22(20-32)21-36-27-11-8-23(9-12-27)29-28-13-10-26(34)18-25(28)19-31(15-16-31)33(29)30(35)24-6-4-3-5-7-24/h3-13,18,22,29,34H,2,14-17,19-21H2,1H3/t22-,29-/m1/s1
定義日:2022-07-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:[(1'R)-1'-(4-{[(3R)-1-ethylpyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
TV3
TV3
表記:[(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
組成式:C32 H36 N2 O3
SMILES:CCCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:InChI=1S/C32H36N2O3/c1-2-17-33-18-14-23(21-33)22-37-28-11-8-24(9-12-28)30-29-13-10-27(35)19-26(29)20-32(15-16-32)34(30)31(36)25-6-4-3-5-7-25/h3-13,19,23,30,35H,2,14-18,20-22H2,1H3/t23-,30-/m1/s1
定義日:2022-07-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:[(1'R)-6'-hydroxy-1'-(4-{[(3R)-1-propylpyrrolidin-3-yl]methoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
TVF
TVF
表記:[(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone
組成式:C31 H34 N2 O3
SMILES:CC1CCN(C1)CCOc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1
InChi:InChI=1S/C31H34N2O3/c1-22-13-16-32(21-22)17-18-36-27-10-7-23(8-11-27)29-28-12-9-26(34)19-25(28)20-31(14-15-31)33(29)30(35)24-5-3-2-4-6-24/h2-12,19,22,29,34H,13-18,20-21H2,1H3/t22-,29-/m1/s1
定義日:2022-07-28
最終更新日:2022-11-04
公開日:2022-11-09
識別子（ID）:[(1'R)-6'-hydroxy-1'-(4-{2-[(3R)-3-methylpyrrolidin-1-yl]ethoxy}phenyl)-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone

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件を2024-07-10に公開中

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