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NO0
NO0
Name:2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
Formula:C19 H14 N2 O
SMILES:C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H14N2O/c1-2-14-6-5-7-15(10-14)11-19(22)21-18-13-20-12-16-8-3-4-9-17(16)18/h1,3-10,12-13H,11H2,(H,21,22)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
Q5R
Q5R
Name:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
Formula:C20 H19 N3 O2
SMILES:O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c1ccccc1
InChi:InChI=1S/C20H19N3O2/c24-19-14-17(16-8-4-5-9-18(16)21-19)20(25)23-12-10-22(11-13-23)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,21,24)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one
QKR
QKR
Name:2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide
Formula: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)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide
L93
L93
Name:6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:C20 H19 F N2 O4
SMILES:COc1ccccc1OC(C)CNC(=O)C1=CC(=O)Nc2ccc(F)cc21
InChi:InChI=1S/C20H19FN2O4/c1-12(27-18-6-4-3-5-17(18)26-2)11-22-20(25)15-10-19(24)23-16-8-7-13(21)9-14(15)16/h3-10,12H,11H2,1-2H3,(H,22,25)(H,23,24)/t12-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
KG9
KG9
Name:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C24 H21 Cl N4 O3 S
SMILES:N#CC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C24H21ClN4O3S/c25-18-6-5-17-12-29(33(31,32)15-24(14-26)7-8-24)13-21(20(17)9-18)23(30)28-22-11-27-10-16-3-1-2-4-19(16)22/h1-6,9-11,21H,7-8,12-13,15H2,(H,28,30)/t21-/m1/s1
Definition date:2023-08-11
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
KVF
KVF
Name:(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
Formula:C15 H16 Cl N3 O
SMILES:Cc1cnncc1NC(=O)C(CC)c1cccc(Cl)c1
InChi:InChI=1S/C15H16ClN3O/c1-3-13(11-5-4-6-12(16)7-11)15(20)19-14-9-18-17-8-10(14)2/h4-9,13H,3H2,1-2H3,(H,17,19,20)/t13-/m0/s1
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide
RD5
RD5
Name:2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide
Formula:C19 H18 Cl N3 O3 S
SMILES:CS(=O)(=O)NCc1ccc(Cl)cc1CC(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H18ClN3O3S/c1-27(25,26)22-11-13-6-7-16(20)8-15(13)9-19(24)23-18-12-21-10-14-4-2-3-5-17(14)18/h2-8,10,12,22H,9,11H2,1H3,(H,23,24)
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide
Q60
Q60
Name:N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea
Formula:C19 H22 N6 O
SMILES:Cn1cc(CNC(=O)N(Cc2cccnc2)CCc2ccccc2)nn1
InChi:InChI=1S/C19H22N6O/c1-24-15-18(22-23-24)13-21-19(26)25(14-17-8-5-10-20-12-17)11-9-16-6-3-2-4-7-16/h2-8,10,12,15H,9,11,13-14H2,1H3,(H,21,26)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea
QL3
QL3
Name:N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide
Formula: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)
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide
L9F
L9F
Name:(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
Formula:C14 H10 Cl N3 O2
SMILES:Clc1cccc(c1)N1C(=O)C(NC1=O)c1cccnc1
InChi:InChI=1S/C14H10ClN3O2/c15-10-4-1-5-11(7-10)18-13(19)12(17-14(18)20)9-3-2-6-16-8-9/h1-8,12H,(H,17,20)/t12-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione
KVO
KVO
Name:2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide
Formula:C15 H15 Cl N2 O
SMILES:Cc1nccc(C)c1NC(=O)Cc1cccc(Cl)c1
InChi:InChI=1S/C15H15ClN2O/c1-10-6-7-17-11(2)15(10)18-14(19)9-12-4-3-5-13(16)8-12/h3-8H,9H2,1-2H3,(H,18,19)
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide
NOI
NOI
Name:2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide
Formula:C12 H12 Cl N3 O
SMILES:O=C(Nc1cncn1C)Cc1cccc(Cl)c1
InChi:InChI=1S/C12H12ClN3O/c1-16-8-14-7-11(16)15-12(17)6-9-3-2-4-10(13)5-9/h2-5,7-8H,6H2,1H3,(H,15,17)
Definition date:2023-08-16
Last modified:2023-11-03
Release date:2023-11-08
Identifier:2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide
QLC
QLC
Name:(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide
Formula: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
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide
KVX
KVX
Name:(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
Formula:C15 H13 Cl N2 O3
SMILES:OCc1ccncc1NC(=O)C1COc2ccc(Cl)cc21
InChi:InChI=1S/C15H13ClN2O3/c16-10-1-2-14-11(5-10)12(8-21-14)15(20)18-13-6-17-4-3-9(13)7-19/h1-6,12,19H,7-8H2,(H,18,20)/t12-/m1/s1
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
L9O
L9O
Name:(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide
Formula:C14 H18 N2 O
SMILES:O=C(Nc1cnccc1C)C1CCC21CCC2
InChi:InChI=1S/C14H18N2O/c1-10-4-8-15-9-12(10)16-13(17)11-3-7-14(11)5-2-6-14/h4,8-9,11H,2-3,5-7H2,1H3,(H,16,17)/t11-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide
RDK
RDK
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
Formula:C19 H16 Cl N3 O3 S
SMILES:Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C19H16ClN3O3S/c1-19(11-22-27(25,26)17-7-6-13(20)8-15(17)19)18(24)23-16-10-21-9-12-4-2-3-5-14(12)16/h2-10,22H,11H2,1H3,(H,23,24)/t19-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
RDQ
RDQ
Name:(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C23 H22 Cl N5 O5 S
SMILES:CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21
InChi:InChI=1S/C23H22ClN5O5S/c1-25-21(30)12-29-11-19(18-7-14(24)4-6-16(18)23(29)32)22(31)27-20-10-26-9-13-3-5-15(8-17(13)20)28-35(2,33)34/h3-10,19,28H,11-12H2,1-2H3,(H,25,30)(H,27,31)/t19-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
QLO
QLO
Name:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula: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
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide
KW9
KW9
Name:7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Formula:C19 H17 F N2 O4
SMILES:COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cc(F)ccc21
InChi:InChI=1S/C19H17FN2O4/c1-25-16-4-2-3-5-17(16)26-9-8-21-19(24)14-11-18(23)22-15-10-12(20)6-7-13(14)15/h2-7,10-11H,8-9H2,1H3,(H,21,24)(H,22,23)
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
RDX
RDX
Name:(4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
Formula:C22 H23 Cl N4 O4 S
SMILES:OCCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21
InChi:InChI=1S/C22H23ClN4O4S/c1-26(8-9-28)32(30,31)27-13-16-6-7-17(23)10-19(16)20(14-27)22(29)25-21-12-24-11-15-4-2-3-5-18(15)21/h2-7,10-12,20,28H,8-9,13-14H2,1H3,(H,25,29)/t20-/m1/s1
Definition date:2023-08-22
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
M26
M26
Name:N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide
Formula:C19 H18 Br F N2 O3
SMILES:Brc1cccc(c1)C(COC)NC(=O)CC1c2cc(F)ccc2NC1=O
InChi:InChI=1S/C19H18BrFN2O3/c1-26-10-17(11-3-2-4-12(20)7-11)22-18(24)9-15-14-8-13(21)5-6-16(14)23-19(15)25/h2-8,15,17H,9-10H2,1H3,(H,22,24)(H,23,25)/t15-,17-/m0/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide
QM3
QM3
Name:(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione
Formula: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
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione
KWR
KWR
Name:N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide
Formula:C16 H15 N3 O3
SMILES:O=C(Cc1cccnc1)Nc1cccc(c1)OC1CC(=O)N1
InChi:InChI=1S/C16H15N3O3/c20-14(7-11-3-2-6-17-10-11)18-12-4-1-5-13(8-12)22-16-9-15(21)19-16/h1-6,8,10,16H,7,9H2,(H,18,20)(H,19,21)/t16-/m0/s1
Definition date:2023-08-14
Last modified:2023-11-03
Release date:2023-11-08
Identifier:N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide
QM9
QM9
Name:(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
Formula: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
Definition date:2023-08-18
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
M2X
M2X
Name:(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide
Formula:C15 H16 Br N3 O2
SMILES:O=C(Nc1cnccc1C)C(N)c1cc(Br)ccc1OC
InChi:InChI=1S/C15H16BrN3O2/c1-9-5-6-18-8-12(9)19-15(20)14(17)11-7-10(16)3-4-13(11)21-2/h3-8,14H,17H2,1-2H3,(H,19,20)/t14-/m1/s1
Definition date:2023-08-15
Last modified:2023-11-03
Release date:2023-11-08
Identifier:(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide

226262

数据于2024-10-16公开中

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