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KHI
KHI
Name:6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinazolin-4-amine
Formula:C21 H24 Cl N5
SMILES:CN(C)c1nc(nc2ccc(Cl)cc21)CCC1CCN(C1)c1ncccc1
InChi:InChI=1S/C21H24ClN5/c1-26(2)21-17-13-16(22)7-8-18(17)24-19(25-21)9-6-15-10-12-27(14-15)20-5-3-4-11-23-20/h3-5,7-8,11,13,15H,6,9-10,12,14H2,1-2H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:6-chloro-N,N-dimethyl-2-{2-[(3S)-1-(pyridin-2-yl)pyrrolidin-3-yl]ethyl}quinazolin-4-amine
KIY
KIY
Name:7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline
Formula:C17 H21 N3 O
SMILES:Cc1nc2cc(OCC3CC3)ccc2c(n1)N1CCCC1
InChi:InChI=1S/C17H21N3O/c1-12-18-16-10-14(21-11-13-4-5-13)6-7-15(16)17(19-12)20-8-2-3-9-20/h6-7,10,13H,2-5,8-9,11H2,1H3
Definition date:2022-02-03
Last modified:2022-10-07
Release date:2022-10-12
Identifier:7-(cyclopropylmethoxy)-2-methyl-4-(pyrrolidin-1-yl)quinazoline
JD6
JD6
Name:2,3-dimethylquinoxalin-6-amine
Formula:C10 H11 N3
SMILES:Nc1cc2nc(C)c(C)nc2cc1
InChi:InChI=1S/C10H11N3/c1-6-7(2)13-10-5-8(11)3-4-9(10)12-6/h3-5H,11H2,1-2H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2,3-dimethylquinoxalin-6-amine
JIG
JIG
Name:2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline
Formula:C19 H18 N4 O S
SMILES:Cc1c(OC)c(C)cnc1CSc1nc2ccc3cccnc3c2[NH]1
InChi:InChI=1S/C19H18N4OS/c1-11-9-21-15(12(2)18(11)24-3)10-25-19-22-14-7-6-13-5-4-8-20-16(13)17(14)23-19/h4-9H,10H2,1-3H3,(H,22,23)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-h]quinoline
JJF
JJF
Name:2-methyl-3-(pyrrolidin-1-yl)quinoxaline
Formula:C13 H15 N3
SMILES:Cc1nc2ccccc2nc1N1CCCC1
InChi:InChI=1S/C13H15N3/c1-10-13(16-8-4-5-9-16)15-12-7-3-2-6-11(12)14-10/h2-3,6-7H,4-5,8-9H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-methyl-3-(pyrrolidin-1-yl)quinoxaline
JKO
JKO
Name:1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C23 H22 N6 O3
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N1CCOCC1
InChi:InChI=1S/C23H22N6O3/c1-27-21(18(14-24-27)23(31)28-9-11-32-12-10-28)22(30)25-17-7-8-29-15-19(26-20(29)13-17)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3,(H,25,30)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-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
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
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
JRX
JRX
Name:2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline
Formula:C21 H24 N4 O2 S
SMILES:O=S(=O)(c1ccc(C)cc1)N1CCN(CC1)c1nc2ccccc2nc1CC
InChi:InChI=1S/C21H24N4O2S/c1-3-18-21(23-20-7-5-4-6-19(20)22-18)24-12-14-25(15-13-24)28(26,27)17-10-8-16(2)9-11-17/h4-11H,3,12-15H2,1-2H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-ethyl-3-[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]quinoxaline
R50
R50
Name: 2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]prop-2-en-1-one, bound form
Formula:C22 H25 N3 O
SMILES:CC(C)C(=O)n1cc(C)c2c1cncc2c1ccc2CN(C)CCc2c1
InChi:InChI=1S/C22H25N3O/c1-14(2)22(26)25-12-15(3)21-19(10-23-11-20(21)25)17-5-6-18-13-24(4)8-7-16(18)9-17/h5-6,9-12,14H,7-8,13H2,1-4H3
Definition date:2022-06-16
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-methyl-1-[(4P)-3-methyl-4-(2-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)-1H-pyrrolo[2,3-c]pyridin-1-yl]propan-1-one
IJN
IJN
Name:(10S)-1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5(4H)-one
Formula:C19 H16 Cl N3 O2
SMILES:Clc1ccccc1c1nc(C)c2n1c1cc(OC)ccc1C(=O)N2C
InChi:InChI=1S/C19H16ClN3O2/c1-11-18-22(2)19(24)14-9-8-12(25-3)10-16(14)23(18)17(21-11)13-6-4-5-7-15(13)20/h4-10H,1-3H3
Definition date:2022-01-26
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(10S)-1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5(4H)-one
IJT
IJT
Name:2-methyl-3-{[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}quinoxaline
Formula:C20 H20 N4 O
SMILES:CN1CC(N=C1COc1nc2ccccc2nc1C)c1ccccc1
InChi:InChI=1S/C20H20N4O/c1-14-20(23-17-11-7-6-10-16(17)21-14)25-13-19-22-18(12-24(19)2)15-8-4-3-5-9-15/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1
Definition date:2022-01-26
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-methyl-3-{[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}quinoxaline
ILN
ILN
Name:1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C21 H20 N8 O3
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(nn2cn1)c1ccccc1)N1CCOCC1
InChi:InChI=1S/C21H20N8O3/c1-27-18(15(12-23-27)21(31)28-7-9-32-10-8-28)20(30)24-16-11-17-25-19(26-29(17)13-22-16)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,24,30)
Definition date:2022-01-26
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-phenyl[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
IV8
IV8
Name:(10R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]quinoline
Formula:C19 H21 N7
SMILES:Cn1nc(nc1CCc1nc2ccc3ccccc3n2n1)N1CCCC1
InChi:InChI=1S/C19H21N7/c1-24-17(21-19(23-24)25-12-4-5-13-25)11-9-16-20-18-10-8-14-6-2-3-7-15(14)26(18)22-16/h2-3,6-8,10H,4-5,9,11-13H2,1H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(10R)-2-{2-[1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4-triazol-5-yl]ethyl}[1,2,4]triazolo[1,5-a]quinoline
IVE
IVE
Name:(2S)-N'-[(4-bromo-3,5-dimethoxyphenyl)methyl]-2-ethoxy-2-[4-(morpholin-4-yl)phenyl]acetohydrazide
Formula:C23 H30 Br N3 O5
SMILES:COc1cc(cc(OC)c1Br)CNNC(=O)C(OCC)c1ccc(cc1)N1CCOCC1
InChi:InChI=1S/C23H30BrN3O5/c1-4-32-22(17-5-7-18(8-6-17)27-9-11-31-12-10-27)23(28)26-25-15-16-13-19(29-2)21(24)20(14-16)30-3/h5-8,13-14,22,25H,4,9-12,15H2,1-3H3,(H,26,28)/t22-/m0/s1
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(2S)-N'-[(4-bromo-3,5-dimethoxyphenyl)methyl]-2-ethoxy-2-[4-(morpholin-4-yl)phenyl]acetohydrazide
IVP
IVP
Name:N-[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]urea
Formula:C25 H24 N4 O3
SMILES:Cc1ccc(cc1)NC(=O)N(Cc1ccc(OC)cc1)CC1=Nc2ccccc2C(=O)N1
InChi:InChI=1S/C25H24N4O3/c1-17-7-11-19(12-8-17)26-25(31)29(15-18-9-13-20(32-2)14-10-18)16-23-27-22-6-4-3-5-21(22)24(30)28-23/h3-14H,15-16H2,1-2H3,(H,26,31)(H,27,28,30)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:N-[(4-methoxyphenyl)methyl]-N'-(4-methylphenyl)-N-[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]urea
IWC
IWC
Name:2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline
Formula:C20 H20 N4
SMILES:Cc1nc(nc(c1)N1CCCC1)/C=C/c1ccc2ccccc2n1
InChi:InChI=1S/C20H20N4/c1-15-14-20(24-12-4-5-13-24)23-19(21-15)11-10-17-9-8-16-6-2-3-7-18(16)22-17/h2-3,6-11,14H,4-5,12-13H2,1H3/b11-10+
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:2-{(E)-2-[4-methyl-6-(pyrrolidin-1-yl)pyrimidin-2-yl]ethenyl}quinoline
IWK
IWK
Name:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
Formula:C18 H21 N9 O3
SMILES:O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cc2nc(nn2cn1)N1CCOCC1
InChi:InChI=1S/C18H21N9O3/c1-24-15(12(10-20-24)17(29)25-3-2-4-25)16(28)21-13-9-14-22-18(23-27(14)11-19-13)26-5-7-30-8-6-26/h9-11H,2-8H2,1H3,(H,21,28)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:4-(azetidine-1-carbonyl)-1-methyl-N-[(4S)-2-(morpholin-4-yl)[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
IWS
IWS
Name:(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one
Formula:C10 H7 N3 O
SMILES:O=C1Nc2ccccc2c2nccn21
InChi:InChI=1S/C10H7N3O/c14-10-12-8-4-2-1-3-7(8)9-11-5-6-13(9)10/h1-6H,(H,12,14)
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:(4R,10aP)-imidazo[1,2-c]quinazolin-5(6H)-one
IX5
IX5
Name:1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine
Formula:C21 H23 N7 O2
SMILES:Cn1cc(nc1COc1nc(N2CCOCC2)c2cnn(C)c2n1)c1ccccc1
InChi:InChI=1S/C21H23N7O2/c1-26-13-17(15-6-4-3-5-7-15)23-18(26)14-30-21-24-19-16(12-22-27(19)2)20(25-21)28-8-10-29-11-9-28/h3-7,12-13H,8-11,14H2,1-2H3
Definition date:2022-02-01
Last modified:2022-10-07
Release date:2022-10-12
Identifier:1-methyl-6-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]-4-(morpholin-4-yl)-1H-pyrazolo[3,4-d]pyrimidine
UX2
UX2
Name:9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
Formula:C13 H8 Cl N5 O
SMILES:Nc1nc2ccc(Cl)cc2c3nc(nn13)c4occc4
InChi:InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)
Definition date:2021-03-25
Last modified:2022-09-30
Release date:2022-10-05
Identifier:9-chloranyl-2-(furan-2-yl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
9WW
9WW
Name:N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide
Formula:C34 H27 Cl F4 N8 O4 S
SMILES:CS(=O)(=O)Nc1nn(C)c2c1c(Cl)ccc2N1C(=O)c2ccccc2N=C1C(Cc1cc(F)cc(F)c1)NC(=O)CN1NC(=C2C=CC=C21)C(F)F
InChi:InChI=1S/C34H27ClF4N8O4S/c1-45-30-26(11-10-22(35)28(30)32(43-45)44-52(2,50)51)47-33(41-23-8-4-3-6-20(23)34(47)49)24(14-17-12-18(36)15-19(37)13-17)40-27(48)16-46-25-9-5-7-21(25)29(42-46)31(38)39/h3-13,15,24,31,42H,14,16H2,1-2H3,(H,40,48)(H,43,44)/t24-/m0/s1
Definition date:2021-10-29
Last modified:2022-09-30
Release date:2022-10-05
Identifier:N-[(1S)-1-(3-{4-chloro-3-[(methanesulfonyl)amino]-1-methyl-1H-indazol-7-yl}-4-oxo-3,4-dihydroquinazolin-2-yl)-2-(3,5-difluorophenyl)ethyl]-2-[(3aM)-3-(difluoromethyl)cyclopenta[c]pyrazol-1(2H)-yl]acetamide
9BI
9BI
Name:4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide
Formula:C14 H21 N3 O3
SMILES:O=C(Nc1ccccc1)CCN(C)CCCC(=O)NO
InChi:InChI=1S/C14H21N3O3/c1-17(10-5-8-14(19)16-20)11-9-13(18)15-12-6-3-2-4-7-12/h2-4,6-7,20H,5,8-11H2,1H3,(H,15,18)(H,16,19)
Definition date:2021-10-06
Last modified:2022-09-30
Release date:2022-10-05
Identifier:4-[(3-anilino-3-oxopropyl)(methyl)amino]-N-hydroxybutanamide

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数据于2024-07-10公开中

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