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QK3
QK3
表記:(4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C25 H22 Cl N5 O3
SMILES:Clc1ccc2OCCC(CNC(=O)Cn3ccnc3)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C25H22ClN5O3/c26-18-5-6-22-20(11-18)25(7-10-34-22,15-29-23(32)14-31-9-8-27-16-31)24(33)30-21-13-28-12-17-3-1-2-4-19(17)21/h1-6,8-9,11-13,16H,7,10,14-15H2,(H,29,32)(H,30,33)/t25-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QKB
QKB
表記:(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C19 H14 Cl F N2 O2
SMILES:Fc1cc2c(cc1)cncc2NC(=O)C1CCOc2ccc(Cl)cc21
InChi:InChI=1S/C19H14ClFN2O2/c20-12-2-4-18-16(7-12)14(5-6-25-18)19(24)23-17-10-22-9-11-1-3-13(21)8-15(11)17/h1-4,7-10,14H,5-6H2,(H,23,24)/t14-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QKI
QKI
表記:(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide
組成式:C17 H12 Cl2 N2 O2
SMILES:Clc1ccc(cc1Cl)C(O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C17H12Cl2N2O2/c18-13-6-5-10(7-14(13)19)16(22)17(23)21-15-9-20-8-11-3-1-2-4-12(11)15/h1-9,16,22H,(H,21,23)/t16-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide
QKR
QKR
表記:2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide
組成式:C17 H10 Cl2 F2 N2 O
SMILES:Clc1ccc(cc1Cl)C(F)(F)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C17H10Cl2F2N2O/c18-13-6-5-11(7-14(13)19)17(20,21)16(24)23-15-9-22-8-10-3-1-2-4-12(10)15/h1-9H,(H,23,24)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide
QL3
QL3
表記:N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide
組成式:C25 H21 Cl N4 O2
SMILES:O=C(C)Nc1ccc(cn1)N(Cc1cccc(Cl)c1)C(=O)Cc1cncc2ccccc21
InChi:InChI=1S/C25H21ClN4O2/c1-17(31)29-24-10-9-22(15-28-24)30(16-18-5-4-7-21(26)11-18)25(32)12-20-14-27-13-19-6-2-3-8-23(19)20/h2-11,13-15H,12,16H2,1H3,(H,28,29,31)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide
QLC
QLC
表記:(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide
組成式:C20 H18 Cl2 N2 O3
SMILES:Clc1ccc(cc1Cl)C(OCCOC)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H18Cl2N2O3/c1-26-8-9-27-19(13-6-7-16(21)17(22)10-13)20(25)24-18-12-23-11-14-4-2-3-5-15(14)18/h2-7,10-12,19H,8-9H2,1H3,(H,24,25)/t19-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide
QLO
QLO
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C22 H20 Cl N3 O3
SMILES:CNC(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H20ClN3O3/c1-24-20(27)11-22(8-9-29-19-7-6-15(23)10-17(19)22)21(28)26-18-13-25-12-14-4-2-3-5-16(14)18/h2-7,10,12-13H,8-9,11H2,1H3,(H,24,27)(H,26,28)/t22-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QM3
QM3
表記:(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione
組成式:C21 H15 Cl N2 O3
SMILES:Clc1ccc2OCCC3(CC(=O)N(C3=O)c3cncc4ccccc43)c2c1
InChi:InChI=1S/C21H15ClN2O3/c22-14-5-6-18-16(9-14)21(7-8-27-18)10-19(25)24(20(21)26)17-12-23-11-13-3-1-2-4-15(13)17/h1-6,9,11-12H,7-8,10H2/t21-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione
QM9
QM9
表記:(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C19 H16 Cl N3 O2
SMILES:Clc1ccc2OCCC(N)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H16ClN3O2/c20-13-5-6-17-15(9-13)19(21,7-8-25-17)18(24)23-16-11-22-10-12-3-1-2-4-14(12)16/h1-6,9-11H,7-8,21H2,(H,23,24)/t19-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QMX
QMX
表記:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C25 H24 Cl N5 O2
SMILES:Cn1ccc(n1)CNCC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C25H24ClN5O2/c1-31-10-8-19(30-31)14-28-16-25(9-11-33-23-7-6-18(26)12-21(23)25)24(32)29-22-15-27-13-17-4-2-3-5-20(17)22/h2-8,10,12-13,15,28H,9,11,14,16H2,1H3,(H,29,32)/t25-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QN9
QN9
表記:(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C28 H31 Cl N4 O4
SMILES:OCCCN1CCN(CC1)C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C28H31ClN4O4/c29-21-6-7-25-23(16-21)28(8-15-37-25,17-26(35)33-12-10-32(11-13-33)9-3-14-34)27(36)31-24-19-30-18-20-4-1-2-5-22(20)24/h1-2,4-7,16,18-19,34H,3,8-15,17H2,(H,31,36)/t28-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QNU
QNU
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C19 H16 Cl N3 O
SMILES:Clc1ccc2CNCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H16ClN3O/c20-14-6-5-13-9-21-10-17(16(13)7-14)19(24)23-18-11-22-8-12-3-1-2-4-15(12)18/h1-8,11,17,21H,9-10H2,(H,23,24)/t17-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QO0
QO0
表記:(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H16 Cl2 N2 O3
SMILES:Clc1cc2c(cc1Cl)OCCC2(OC)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H16Cl2N2O3/c1-26-20(6-7-27-18-9-16(22)15(21)8-14(18)20)19(25)24-17-11-23-10-12-4-2-3-5-13(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QOC
QOC
表記:(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
組成式:C20 H16 Cl2 N2 O
SMILES:Clc1ccc(cc1Cl)C1CCCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C20H16Cl2N2O/c21-17-8-7-13(10-18(17)22)16-6-3-9-24(20(16)25)19-12-23-11-14-4-1-2-5-15(14)19/h1-2,4-5,7-8,10-12,16H,3,6,9H2/t16-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one
QOO
QOO
表記:2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
組成式:C23 H25 Cl N4 O3 S
SMILES:O=S(=O)(CC)N1CCN(CC1)c1cc(CC(=O)Nc2cncc3ccccc32)cc(Cl)c1
InChi:InChI=1S/C23H25ClN4O3S/c1-2-32(30,31)28-9-7-27(8-10-28)20-12-17(11-19(24)14-20)13-23(29)26-22-16-25-15-18-5-3-4-6-21(18)22/h3-6,11-12,14-16H,2,7-10,13H2,1H3,(H,26,29)
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
QOU
QOU
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
組成式:C22 H22 Cl N3 O2
SMILES:Clc1ccc2NCCC(CCOC)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H22ClN3O2/c1-28-11-9-22(8-10-25-19-7-6-16(23)12-18(19)22)21(27)26-20-14-24-13-15-4-2-3-5-17(15)20/h2-7,12-14,25H,8-11H2,1H3,(H,26,27)/t22-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
QP0
QP0
表記:(3R,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H17 Cl N2 O2
SMILES:Clc1ccc2OCC(C)C(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H17ClN2O2/c1-12-11-25-18-7-6-14(21)8-16(18)19(12)20(24)23-17-10-22-9-13-4-2-3-5-15(13)17/h2-10,12,19H,11H2,1H3,(H,23,24)/t12-,19+/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3R,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QP6
QP6
表記:(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H16 F2 N2 O3
SMILES:Fc1cc(F)c2OCCC(OC)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H16F2N2O3/c1-26-20(6-7-27-18-15(20)8-13(21)9-16(18)22)19(25)24-17-11-23-10-12-4-2-3-5-14(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QPQ
QPQ
表記:(4S)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C20 H16 Cl F N2 O3
SMILES:Clc1cc2c(cc1F)OCCC2(OC)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C20H16ClFN2O3/c1-26-20(6-7-27-18-9-16(22)15(21)8-14(18)20)19(25)24-17-11-23-10-12-4-2-3-5-13(12)17/h2-5,8-11H,6-7H2,1H3,(H,24,25)/t20-/m0/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QQ6
QQ6
表記:(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide
組成式:C19 H15 Cl N2 O S
SMILES:Clc1ccc2SCCC(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H15ClN2OS/c20-13-5-6-18-16(9-13)15(7-8-24-18)19(23)22-17-11-21-10-12-3-1-2-4-14(12)17/h1-6,9-11,15H,7-8H2,(H,22,23)/t15-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide
QQF
QQF
表記:2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(methoxyacetyl)-L-alaninamide
組成式:C21 H19 Cl2 N3 O3
SMILES:Clc1ccc(cc1Cl)C(C)(NC(=O)COC)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C21H19Cl2N3O3/c1-21(26-19(27)12-29-2,14-7-8-16(22)17(23)9-14)20(28)25-18-11-24-10-13-5-3-4-6-15(13)18/h3-11H,12H2,1-2H3,(H,25,28)(H,26,27)/t21-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(methoxyacetyl)-L-alaninamide
QQO
QQO
表記:(2R)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-4-(propan-2-yl)morpholine-2-carboxamide
組成式:C26 H28 Cl2 N4 O3
SMILES:CC(C)N1CC(OCC1)C(=O)NC(C)(c1ccc(Cl)c(Cl)c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C26H28Cl2N4O3/c1-16(2)32-10-11-35-23(15-32)24(33)31-26(3,18-8-9-20(27)21(28)12-18)25(34)30-22-14-29-13-17-6-4-5-7-19(17)22/h4-9,12-14,16,23H,10-11,15H2,1-3H3,(H,30,34)(H,31,33)/t23-,26-/m1/s1
定義日:2023-08-18
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2R)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-4-(propan-2-yl)morpholine-2-carboxamide
QQU
QQU
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C29 H28 Cl N5 O3
SMILES:Clc1ccc2OCCC(CC(=O)N3CCCCC3c3c[NH]nc3)(c2c1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C29H28ClN5O3/c30-21-8-9-26-23(13-21)29(10-12-38-26,28(37)34-24-18-31-15-19-5-1-2-6-22(19)24)14-27(36)35-11-4-3-7-25(35)20-16-32-33-17-20/h1-2,5-6,8-9,13,15-18,25H,3-4,7,10-12,14H2,(H,32,33)(H,34,37)/t25-,29+/m1/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
QR5
QR5
表記:(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide
組成式:C26 H25 Cl2 N5 O3
SMILES:Clc1ccc(cc1Cl)C(C)(NC(=O)CN1CCN(C2CC2)C1=O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C26H25Cl2N5O3/c1-26(17-6-9-20(27)21(28)12-17,24(35)30-22-14-29-13-16-4-2-3-5-19(16)22)31-23(34)15-32-10-11-33(25(32)36)18-7-8-18/h2-6,9,12-14,18H,7-8,10-11,15H2,1H3,(H,30,35)(H,31,34)/t26-/m1/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide
QR9
QR9
表記:(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C28 H27 Cl N4 O4
SMILES:CC(=O)N1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C28H27ClN4O4/c1-17(34)32-15-21-11-20(32)16-33(21)26(35)12-28(8-9-37-25-7-6-19(29)10-23(25)28)27(36)31-24-14-30-13-18-4-2-3-5-22(18)24/h2-7,10,13-14,20-21H,8-9,11-12,15-16H2,1H3,(H,31,36)/t20-,21-,28+/m1/s1
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide

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件を2024-10-09に公開中

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