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R5O
R5O
表記:(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C21 H20 Cl N3 O5 S
SMILES:CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC
InChi:InChI=1S/C21H20ClN3O5S/c1-29-21(7-8-30-19-6-4-14(22)9-17(19)21)20(26)24-18-12-23-11-13-3-5-15(10-16(13)18)25-31(2,27)28/h3-6,9-12,25H,7-8H2,1-2H3,(H,24,26)/t21-/m0/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-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide
NGX
NGX
表記:(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
組成式:C11 H12 Cl N3 O
SMILES:OC(Cc1cccc(Cl)c1)Cn1cncn1
InChi:InChI=1S/C11H12ClN3O/c12-10-3-1-2-9(4-10)5-11(16)6-15-8-13-7-14-15/h1-4,7-8,11,16H,5-6H2/t11-/m0/s1
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol
QRF
QRF
表記:2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
組成式:C26 H23 Cl N4 O3
SMILES:O=C(N1CCN(CC1)c1cc(CC(=O)Nc2cncc3ccccc32)cc(Cl)c1)c1ccco1
InChi:InChI=1S/C26H23ClN4O3/c27-20-12-18(14-25(32)29-23-17-28-16-19-4-1-2-5-22(19)23)13-21(15-20)30-7-9-31(10-8-30)26(33)24-6-3-11-34-24/h1-6,11-13,15-17H,7-10,14H2,(H,29,32)
定義日:2023-08-21
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide
RJO
RJO
表記:(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C22 H18 Cl F N4 O3
SMILES:Fc1cc2c(cc1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21
InChi:InChI=1S/C22H18ClFN4O3/c1-25-20(29)11-28-10-18(17-6-13(23)3-5-15(17)22(28)31)21(30)27-19-9-26-8-12-2-4-14(24)7-16(12)19/h2-9,18H,10-11H2,1H3,(H,25,29)(H,27,30)/t18-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
RYB
RYB
表記:1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
組成式:C30 H32 Cl N5 O4 S
SMILES:CN(C)CCOc1cc2c(cc1)cncc2N1CCC2(CN(Cc3ccc(Cl)cc32)S(=O)(=O)CC2(C#N)CC2)C1=O
InChi:InChI=1S/C30H32ClN5O4S/c1-34(2)11-12-40-24-6-4-21-15-33-16-27(25(21)14-24)36-10-9-30(28(36)37)19-35(17-22-3-5-23(31)13-26(22)30)41(38,39)20-29(18-32)7-8-29/h3-6,13-16H,7-12,17,19-20H2,1-2H3/t30-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
QRS
QRS
表記:(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide
組成式:C24 H24 Cl2 N4 O2
SMILES:O=C(NC(C)(c1ccc(Cl)c(Cl)c1)C(=O)Nc1cncc2ccccc21)C1CCN(C)C1
InChi:InChI=1S/C24H24Cl2N4O2/c1-24(17-7-8-19(25)20(26)11-17,29-22(31)16-9-10-30(2)14-16)23(32)28-21-13-27-12-15-5-3-4-6-18(15)21/h3-8,11-13,16H,9-10,14H2,1-2H3,(H,28,32)(H,29,31)/t16-,24+/m0/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）:(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide
NV9
NV9
表記:2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide
組成式:C19 H15 Cl N2 O
SMILES:O=C(Nc1cnccc1c1ccccc1)Cc1cccc(Cl)c1
InChi:InChI=1S/C19H15ClN2O/c20-16-8-4-5-14(11-16)12-19(23)22-18-13-21-10-9-17(18)15-6-2-1-3-7-15/h1-11,13H,12H2,(H,22,23)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide
R66
R66
表記:(3R)-3-(3-chlorophenyl)-3-hydroxy-1-(isoquinolin-4-yl)pyrrolidin-2-one
組成式:C19 H15 Cl N2 O2
SMILES:Clc1cccc(c1)C1(O)CCN(c2cncc3ccccc23)C1=O
InChi:InChI=1S/C19H15ClN2O2/c20-15-6-3-5-14(10-15)19(24)8-9-22(18(19)23)17-12-21-11-13-4-1-2-7-16(13)17/h1-7,10-12,24H,8-9H2/t19-/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）:(3R)-3-(3-chlorophenyl)-3-hydroxy-1-(isoquinolin-4-yl)pyrrolidin-2-one
RJX
RJX
表記:4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
組成式:C18 H13 Cl N2 O3
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)C(=O)O
InChi:InChI=1S/C18H13ClN2O3/c19-14-3-1-2-11(6-14)7-17(22)21-16-10-20-9-13-5-4-12(18(23)24)8-15(13)16/h1-6,8-10H,7H2,(H,21,22)(H,23,24)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid
QS3
QS3
表記:(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
組成式:C21 H16 Cl N3 O3
SMILES:Clc1ccc2OCCC3(C(=O)N(C(=O)N3C)c3cncc4ccccc43)c2c1
InChi:InChI=1S/C21H16ClN3O3/c1-24-20(27)25(17-12-23-11-13-4-2-3-5-15(13)17)19(26)21(24)8-9-28-18-7-6-14(22)10-16(18)21/h2-7,10-12H,8-9H2,1H3/t21-/m0/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）:(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione
NVO
NVO
表記:2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
組成式:C16 H12 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nc1nncc2ccccc21
InChi:InChI=1S/C16H12ClN3O/c17-13-6-3-4-11(8-13)9-15(21)19-16-14-7-2-1-5-12(14)10-18-20-16/h1-8,10H,9H2,(H,19,20,21)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide
R6L
R6L
表記:(4S)-6-chloro-4-methoxy-N-[7-(methylsulfamoyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C21 H20 Cl N3 O5 S
SMILES:CNS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1(CCOc2ccc(Cl)cc21)OC
InChi:InChI=1S/C21H20ClN3O5S/c1-23-31(27,28)15-4-5-16-13(9-15)11-24-12-18(16)25-20(26)21(29-2)7-8-30-19-6-3-14(22)10-17(19)21/h3-6,9-12,23H,7-8H2,1-2H3,(H,25,26)/t21-/m0/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-4-methoxy-N-[7-(methylsulfamoyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
RKC
RKC
表記:(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one
組成式:C21 H17 Cl N2 O2
SMILES:Clc1ccc2OCCC3(CCN(C3=O)c3cncc4ccccc43)c2c1
InChi:InChI=1S/C21H17ClN2O2/c22-15-5-6-19-17(11-15)21(8-10-26-19)7-9-24(20(21)25)18-13-23-12-14-3-1-2-4-16(14)18/h1-6,11-13H,7-10H2/t21-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one
XAW
XAW
表記:[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone
組成式:C21 H28 Cl N3 O
SMILES:O=C(N1CCN(CC1)c1cc(Cl)ccc1N)C12CC3CC(C1)CC(C3)C2
InChi:InChI=1S/C21H28ClN3O/c22-17-1-2-18(23)19(10-17)24-3-5-25(6-4-24)20(26)21-11-14-7-15(12-21)9-16(8-14)13-21/h1-2,10,14-16H,3-9,11-13,23H2/t14-,15+,16-,21-
定義日:2022-11-08
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:[(3s,5s,7s)-adamantan-1-yl][4-(2-amino-5-chlorophenyl)piperazin-1-yl]methanone
KO9
KO9
表記:N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide
組成式:C13 H10 N4 O
SMILES:O=C(Nc1cc(cnc1)C#N)Cc1cccnc1
InChi:InChI=1S/C13H10N4O/c14-6-11-4-12(9-16-8-11)17-13(18)5-10-2-1-3-15-7-10/h1-4,7-9H,5H2,(H,17,18)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide
OBO
OBO
表記:2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide
組成式:C14 H11 Cl N4 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2nc[NH]c12
InChi:InChI=1S/C14H11ClN4O/c15-10-3-1-2-9(4-10)5-13(20)19-12-7-16-6-11-14(12)18-8-17-11/h1-4,6-8H,5H2,(H,17,18)(H,19,20)
定義日:2023-08-17
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide
QSF
QSF
表記:(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide
組成式:C19 H14 Cl N3 O2
SMILES:Clc1cc2c(cc1)NC(=O)C2(C)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H14ClN3O2/c1-19(14-8-12(20)6-7-15(14)22-17(19)24)18(25)23-16-10-21-9-11-4-2-3-5-13(11)16/h2-10H,1H3,(H,22,24)(H,23,25)/t19-/m0/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）:(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide
KOI
KOI
表記:2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide
組成式:C13 H11 Cl N2 O
SMILES:O=C(Nc1cccnc1)Cc1cccc(Cl)c1
InChi:InChI=1S/C13H11ClN2O/c14-11-4-1-3-10(7-11)8-13(17)16-12-5-2-6-15-9-12/h1-7,9H,8H2,(H,16,17)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide
RKR
RKR
表記:2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide
組成式:C19 H18 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C)C
InChi:InChI=1S/C19H18ClN3O/c1-23(2)16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide
RZF
RZF
表記:2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
組成式:C24 H20 Cl2 N4 O3
SMILES:Clc1cc2c(cc1)cncc2N1CCC2(CN(CC(=O)NC)C(=O)c3ccc(Cl)cc32)C1=O
InChi:InChI=1S/C24H20Cl2N4O3/c1-27-21(31)12-29-13-24(19-9-16(26)4-5-17(19)22(29)32)6-7-30(23(24)33)20-11-28-10-14-2-3-15(25)8-18(14)20/h2-5,8-11H,6-7,12-13H2,1H3,(H,27,31)/t24-/m1/s1
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
R76
R76
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
組成式:C22 H19 Cl N4 O3
SMILES:CNC(=O)CN1CC(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H19ClN4O3/c1-24-20(28)12-27-11-18(17-8-14(23)6-7-16(17)22(27)30)21(29)26-19-10-25-9-13-4-2-3-5-15(13)19/h2-10,18H,11-12H2,1H3,(H,24,28)(H,26,29)/t18-/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)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QSX
QSX
表記:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
組成式:C27 H27 Cl N4 O3
SMILES:CN1CC2CC1CN2C(=O)CC1(CCOc2ccc(Cl)cc21)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C27H27ClN4O3/c1-31-15-20-11-19(31)16-32(20)25(33)12-27(8-9-35-24-7-6-18(28)10-22(24)27)26(34)30-23-14-29-13-17-4-2-3-5-21(17)23/h2-7,10,13-14,19-20H,8-9,11-12,15-16H2,1H3,(H,30,34)/t19-,20-,27-/m0/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-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide
RL0
RL0
表記:2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide
組成式:C19 H18 Cl N3 O3 S
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C)S(C)(=O)=O
InChi:InChI=1S/C19H18ClN3O3S/c1-23(27(2,25)26)16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)
定義日:2023-08-22
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide
KP0
KP0
表記:N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
組成式:C20 H24 Cl N3 O
SMILES:O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1
InChi:InChI=1S/C20H24ClN3O/c21-17-8-4-10-19(14-17)24(13-11-16-6-2-1-3-7-16)20(25)23-18-9-5-12-22-15-18/h4-5,8-10,12,14-16H,1-3,6-7,11,13H2,(H,23,25)
定義日:2023-08-14
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
NWI
NWI
表記:2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide
組成式:C16 H12 Cl N3 O
SMILES:Clc1cccc(c1)CC(=O)Nc1cncc2cccnc21
InChi:InChI=1S/C16H12ClN3O/c17-13-5-1-3-11(7-13)8-15(21)20-14-10-18-9-12-4-2-6-19-16(12)14/h1-7,9-10H,8H2,(H,20,21)
定義日:2023-08-16
最終更新日:2023-11-03
公開日:2023-11-08
識別子（ID）:2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide

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