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JL6
JL6
Name:6-cyclopropyl-N-[(3R)-1-(pyridin-2-yl)pyrrolidin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C22 H23 N7 O
SMILES:O=C(NC1CCN(C1)c1ncccc1)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C22H23N7O/c30-22(27-16-8-10-29(13-16)20-3-1-2-9-25-20)21-19(26-17-11-23-14-24-12-17)7-6-18(28-21)15-4-5-15/h1-3,6-7,9,11-12,14-16,26H,4-5,8,10,13H2,(H,27,30)/t16-/m1/s1
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-[(3R)-1-(pyridin-2-yl)pyrrolidin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
JLI
JLI
Name:1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid
Formula:C18 H14 N6 O3
SMILES:OC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1
InChi:InChI=1S/C18H14N6O3/c1-23-15(12(9-19-23)17(26)27)16(25)21-14-7-8-24-10-13(20-18(24)22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,26,27)(H,20,21,22,25)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid
JLR
JLR
Name:3-[1-(naphthalen-1-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
Formula:C24 H15 F3 N4 O2
SMILES:FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cccc2ccccc12
InChi:InChI=1S/C24H15F3N4O2/c25-24(26,27)33-18-8-4-7-17(15-18)30-14-12-22(32)23(29-30)21-11-13-28-31(21)20-10-3-6-16-5-1-2-9-19(16)20/h1-15H
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[1-(naphthalen-1-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
JM0
JM0
Name:N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide
Formula:C15 H19 N5 O3 S
SMILES:CS(=O)(=O)Nc1nc2ccc(OC)nc2n2c1c(C)nc2CCC
InChi:InChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide
JME
JME
Name:4-(azetidine-1-carbonyl)-N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-1H-pyrazole-5-carboxamide
Formula:C23 H19 N7 O2
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCC1
InChi:InChI=1S/C23H19N7O2/c1-28-21(17(12-25-28)23(32)29-8-5-9-29)22(31)27-18-10-20-26-19(15-6-3-2-4-7-15)14-30(20)13-16(18)11-24/h2-4,6-7,10,12-14H,5,8-9H2,1H3,(H,27,31)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-1H-pyrazole-5-carboxamide
JML
JML
Name:2-benzyl-6,6-dimethyl-1H-imidazo[4,5-h]isoquinoline-7,9(6H,8H)-dione
Formula:C19 H17 N3 O2
SMILES:O=C1NC(=O)C(C)(C)c2ccc3nc(Cc4ccccc4)[NH]c3c12
InChi:InChI=1S/C19H17N3O2/c1-19(2)12-8-9-13-16(15(12)17(23)22-18(19)24)21-14(20-13)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3,(H,20,21)(H,22,23,24)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-benzyl-6,6-dimethyl-1H-imidazo[4,5-h]isoquinoline-7,9(6H,8H)-dione
JMU
JMU
Name:N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-3-carboxamide
Formula:C24 H21 N7 O3
SMILES:O=C(c1cn(C)nc1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCOCC1
InChi:InChI=1S/C24H21N7O3/c1-29-14-18(24(33)30-7-9-34-10-8-30)22(28-29)23(32)27-19-11-21-26-20(16-5-3-2-4-6-16)15-31(21)13-17(19)12-25/h2-6,11,13-15H,7-10H2,1H3,(H,27,32)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-3-carboxamide
JN6
JN6
Name:N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide
Formula:C20 H19 N7 O3
SMILES:O=C(NCCO)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1
InChi:InChI=1S/C20H19N7O3/c1-26-17(14(11-22-26)18(29)21-8-10-28)19(30)24-16-7-9-27-12-15(23-20(27)25-16)13-5-3-2-4-6-13/h2-7,9,11-12,28H,8,10H2,1H3,(H,21,29)(H,23,24,25,30)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide
JNL
JNL
Name:N-(2,3-dimethylquinoxalin-6-yl)-N'-(3-methoxyphenyl)urea
Formula:C18 H18 N4 O2
SMILES:COc1cccc(c1)NC(=O)Nc1cc2nc(C)c(C)nc2cc1
InChi:InChI=1S/C18H18N4O2/c1-11-12(2)20-17-10-14(7-8-16(17)19-11)22-18(23)21-13-5-4-6-15(9-13)24-3/h4-10H,1-3H3,(H2,21,22,23)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-(2,3-dimethylquinoxalin-6-yl)-N'-(3-methoxyphenyl)urea
JNU
JNU
Name:(4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
Formula:C17 H20 F3 N7
SMILES:Cn1nc(nc1CCc1ccc2nc(c(C)n2n1)C(F)(F)F)N1CCCC1
InChi:InChI=1S/C17H20F3N7/c1-11-15(17(18,19)20)21-14-8-6-12(23-27(11)14)5-7-13-22-16(24-25(13)2)26-9-3-4-10-26/h6,8H,3-5,7,9-10H2,1-2H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R)-3-methyl-6-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
JO6
JO6
Name:(4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine
Formula:C16 H11 Cl3 N4 S
SMILES:Clc1cc(Cl)c(C)n2nc(nc12)CCc1nc2cc(Cl)ccc2s1
InChi:InChI=1S/C16H11Cl3N4S/c1-8-10(18)7-11(19)16-21-14(22-23(8)16)4-5-15-20-12-6-9(17)2-3-13(12)24-15/h2-3,6-7H,4-5H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine
JOF
JOF
Name:5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one
Formula:C11 H9 Cl N2 O2
SMILES:O=C1c2[NH]c3c(Cl)ccc(O)c3c2CN1C
InChi:InChI=1S/C11H9ClN2O2/c1-14-4-5-8-7(15)3-2-6(12)10(8)13-9(5)11(14)16/h2-3,13,15H,4H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-chloro-8-hydroxy-2-methyl-1,4-dihydropyrrolo[3,4-b]indol-3(2H)-one
JOO
JOO
Name:3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one
Formula:C20 H14 F2 N4 O3 S
SMILES:CS(=O)(=O)c1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1F
InChi:InChI=1S/C20H14F2N4O3S/c1-30(28,29)15-4-2-3-14(12-15)25-10-8-19(27)20(24-25)17-7-9-23-26(17)18-11-13(21)5-6-16(18)22/h2-12H,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one
JP0
JP0
Name:N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea
Formula:C24 H22 N4 O3
SMILES:COc1ccc(cc1)CN(CC1=Nc2ccccc2C(=O)N1)C(=O)Nc1ccccc1
InChi:InChI=1S/C24H22N4O3/c1-31-19-13-11-17(12-14-19)15-28(24(30)25-18-7-3-2-4-8-18)16-22-26-21-10-6-5-9-20(21)23(29)27-22/h2-14H,15-16H2,1H3,(H,25,30)(H,26,27,29)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(4-methoxyphenyl)methyl]-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]-N'-phenylurea
JPF
JPF
Name:6-[(3-methylphenyl)sulfanyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine
Formula:C21 H21 N7 S
SMILES:Cc1cc(ccc1)Sc1nc(nc2[NH]cnc12)N1CCN(CC1)c1ccccn1
InChi:InChI=1S/C21H21N7S/c1-15-5-4-6-16(13-15)29-20-18-19(24-14-23-18)25-21(26-20)28-11-9-27(10-12-28)17-7-2-3-8-22-17/h2-8,13-14H,9-12H2,1H3,(H,23,24,25,26)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-[(3-methylphenyl)sulfanyl]-2-[4-(pyridin-2-yl)piperazin-1-yl]-9H-purine
JPU
JPU
Name:(5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
Formula:C22 H26 N2 O4
SMILES:COc1ccc(cc1OC)C1=NN=C(C)C(CC)c2cc(OC)c(cc21)OC
InChi:InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(5R)-1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine
JQ3
JQ3
Name:5-(cyclopentylmethoxy)pyrimidin-2-amine
Formula:C10 H15 N3 O
SMILES:Nc1ncc(OCC2CCCC2)cn1
InChi:InChI=1S/C10H15N3O/c11-10-12-5-9(6-13-10)14-7-8-3-1-2-4-8/h5-6,8H,1-4,7H2,(H2,11,12,13)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:5-(cyclopentylmethoxy)pyrimidin-2-amine
IGE
IGE
Name:2-[2-(4-methyl-2-phenyl-1H-imidazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
Formula:C20 H17 N3 O2
SMILES:Cc1nc([NH]c1CCN1C(=O)c2ccccc2C1=O)c1ccccc1
InChi:InChI=1S/C20H17N3O2/c1-13-17(22-18(21-13)14-7-3-2-4-8-14)11-12-23-19(24)15-9-5-6-10-16(15)20(23)25/h2-10H,11-12H2,1H3,(H,21,22)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-[2-(4-methyl-2-phenyl-1H-imidazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione
IGI
IGI
Name:(4S)-2-[2-(4-cyclopentyl-1-methyl-1H-imidazol-2-yl)ethyl]-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
Formula:C18 H24 N6
SMILES:Cn1cc(nc1CCc1nc2c(C)ncc(C)n2n1)C1CCCC1
InChi:InChI=1S/C18H24N6/c1-12-10-19-13(2)18-21-16(22-24(12)18)8-9-17-20-15(11-23(17)3)14-6-4-5-7-14/h10-11,14H,4-9H2,1-3H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-2-[2-(4-cyclopentyl-1-methyl-1H-imidazol-2-yl)ethyl]-5,8-dimethyl[1,2,4]triazolo[1,5-a]pyrazine
IGO
IGO
Name:(4S)-5,6,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine
Formula:C17 H24 N8
SMILES:Cn1nc(nc1CCc1nc2c(C)nc(C)c(C)n2n1)N1CCCC1
InChi:InChI=1S/C17H24N8/c1-11-13(3)25-16(12(2)18-11)19-14(21-25)7-8-15-20-17(22-23(15)4)24-9-5-6-10-24/h5-10H2,1-4H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4S)-5,6,8-trimethyl-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]pyrazine
IGW
IGW
Name:N~4~-(2-fluoroethyl)-N~4~,1-dimethyl-N~5~-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
Formula:C21 H20 F N7 O2
SMILES:FCCN(C)C(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(nc2c1)c1ccccc1
InChi:InChI=1S/C21H20FN7O2/c1-27(11-9-22)21(31)16-13-23-28(2)18(16)20(30)24-15-8-10-29-17(12-15)25-19(26-29)14-6-4-3-5-7-14/h3-8,10,12-13H,9,11H2,1-2H3,(H,24,30)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N~4~-(2-fluoroethyl)-N~4~,1-dimethyl-N~5~-[(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
IGZ
IGZ
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C22 H24 N6 O2
SMILES:O=C(c1cnn(C)c1C(=O)NC1Cc2nc(cn2CC1)c1ccccc1)N1CCC1
InChi:InChI=1S/C22H24N6O2/c1-26-20(17(13-23-26)22(30)27-9-5-10-27)21(29)24-16-8-11-28-14-18(25-19(28)12-16)15-6-3-2-4-7-15/h2-4,6-7,13-14,16H,5,8-12H2,1H3,(H,24,29)/t16-/m1/s1
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[(4R,7R)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
IH8
IH8
Name:6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
Formula:C22 H20 N8 O
SMILES:Cn1nc(cc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1)c1ncccc1
InChi:InChI=1S/C22H20N8O/c1-30-20(10-19(29-30)17-4-2-3-9-25-17)28-22(31)21-18(26-15-11-23-13-24-12-15)8-7-16(27-21)14-5-6-14/h2-4,7-14,26H,5-6H2,1H3,(H,28,31)
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-cyclopropyl-N-[1-methyl-3-(pyridin-2-yl)-1H-pyrazol-5-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
IHL
IHL
Name:(4R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine
Formula:C16 H18 F3 N7
SMILES:FC(F)(F)c1cn2nc(nc2cc1)CCc1nc(nn1C)N1CCCC1
InChi:InChI=1S/C16H18F3N7/c1-24-13(21-15(23-24)25-8-2-3-9-25)7-5-12-20-14-6-4-11(16(17,18)19)10-26(14)22-12/h4,6,10H,2-3,5,7-9H2,1H3
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}-6-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyridine
IHV
IHV
Name:2,3,5-trimethyl-6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyrazine
Formula:C19 H24 N4
SMILES:CN1CC(N=C1CCc1nc(C)c(C)nc1C)c1ccccc1
InChi:InChI=1S/C19H24N4/c1-13-14(2)21-17(15(3)20-13)10-11-19-22-18(12-23(19)4)16-8-6-5-7-9-16/h5-9,18H,10-12H2,1-4H3/t18-/m1/s1
Definition date:2022-01-25
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2,3,5-trimethyl-6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyrazine

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数据于2024-07-24公开中

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