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AEQ
AEQ
表記:methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate
組成式:C14 H17 N O3
SMILES:CCC(=O)N1CCCc2cc(ccc12)C(=O)OC
InChi:InChI=1S/C14H17NO3/c1-3-13(16)15-8-4-5-10-9-11(14(17)18-2)6-7-12(10)15/h6-7,9H,3-5,8H2,1-2H3
定義日:2017-08-18
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:methyl 1-propanoyl-3,4-dihydro-2~{H}-quinoline-6-carboxylate
9A8
9A8
表記:2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one
組成式:C17 H16 N2 O2
SMILES:CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
InChi:InChI=1S/C17H16N2O2/c1-11(2)21-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11H,1-2H3,(H,18,19,20)
定義日:2017-05-02
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:2-(4-propan-2-yloxyphenyl)-3~{H}-quinazolin-4-one
9AN
9AN
表記:2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one
組成式:C14 H10 N2 O2
SMILES:Oc1cccc(c1)C2=Nc3ccccc3C(=O)N2
InChi:InChI=1S/C14H10N2O2/c17-10-5-3-4-9(8-10)13-15-12-7-2-1-6-11(12)14(18)16-13/h1-8,17H,(H,15,16,18)
定義日:2017-05-04
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:2-(3-hydroxyphenyl)-3~{H}-quinazolin-4-one
9AQ
9AQ
表記:2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one
組成式:C16 H14 N2 O2
SMILES:CCOc1ccc(cc1)C2=Nc3ccccc3C(=O)N2
InChi:InChI=1S/C16H14N2O2/c1-2-20-12-9-7-11(8-10-12)15-17-14-6-4-3-5-13(14)16(19)18-15/h3-10H,2H2,1H3,(H,17,18,19)
定義日:2017-05-04
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:2-(4-ethoxyphenyl)-3~{H}-quinazolin-4-one
9AW
9AW
表記:2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one
組成式:C19 H13 N3 O
SMILES:O=C1NC(=Nc2ccccc12)c3ccc(cc3)c4ccccn4
InChi:InChI=1S/C19H13N3O/c23-19-15-5-1-2-7-17(15)21-18(22-19)14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,22,23)
定義日:2017-05-04
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-one
9B2
9B2
表記:2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one
組成式:C19 H19 N3 O
SMILES:O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCCCC4
InChi:InChI=1S/C19H19N3O/c23-19-16-6-2-3-7-17(16)20-18(21-19)14-8-10-15(11-9-14)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2,(H,20,21,23)
定義日:2017-05-04
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:2-(4-piperidin-1-ylphenyl)-3~{H}-quinazolin-4-one
9C8
9C8
表記:2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one
組成式:C18 H19 N3 O
SMILES:CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
InChi:InChI=1S/C18H19N3O/c1-3-21(4-2)14-11-9-13(10-12-14)17-19-16-8-6-5-7-15(16)18(22)20-17/h5-12H,3-4H2,1-2H3,(H,19,20,22)
定義日:2017-05-05
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one
9CB
9CB
表記:7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one
組成式:C17 H16 Cl N3 O2
SMILES:CN(CCO)c1ccc(cc1)C2=Nc3cc(Cl)ccc3C(=O)N2
InChi:InChI=1S/C17H16ClN3O2/c1-21(8-9-22)13-5-2-11(3-6-13)16-19-15-10-12(18)4-7-14(15)17(23)20-16/h2-7,10,22H,8-9H2,1H3,(H,19,20,23)
定義日:2017-05-05
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:7-chloranyl-2-[4-[2-hydroxyethyl(methyl)amino]phenyl]-3~{H}-quinazolin-4-one
6VK
6VK
表記:(4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
組成式:C22 H25 N3 O
SMILES:CC1(C)CC(=O)C2=C(C1)Nc3n[nH]c(C4CC4)c3[C]2(C)c5ccccc5
InChi:InChI=1S/C22H25N3O/c1-21(2)11-15-17(16(26)12-21)22(3,14-7-5-4-6-8-14)18-19(13-9-10-13)24-25-20(18)23-15/h4-8,13H,9-12H2,1-3H3,(H2,23,24,25)/t22-/m1/s1
定義日:2016-07-05
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:(4~{S})-3-cyclopropyl-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
6VL
6VL
表記:(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
組成式:C20 H23 N3 O
SMILES:CC[C]1(c2ccccc2)c3c[nH]nc3NC4=C1C(=O)CC(C)(C)C4
InChi:InChI=1S/C20H23N3O/c1-4-20(13-8-6-5-7-9-13)14-12-21-23-18(14)22-15-10-19(2,3)11-16(24)17(15)20/h5-9,12H,4,10-11H2,1-3H3,(H2,21,22,23)/t20-/m0/s1
定義日:2016-07-05
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:(4~{S})-4-ethyl-7,7-dimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
6VM
6VM
表記:(4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
組成式:C24 H31 N3 O
SMILES:CC(C)(C)Cc1[nH]nc2NC3=C(C(=O)CC(C)(C)C3)[C](C)(c4ccccc4)c12
InChi:InChI=1S/C24H31N3O/c1-22(2,3)12-17-20-21(27-26-17)25-16-13-23(4,5)14-18(28)19(16)24(20,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H2,25,26,27)/t24-/m1/s1
定義日:2016-07-05
最終更新日:2018-03-09
公開日:2018-03-14
識別子（ID）:(4~{S})-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
C9B
C9B
表記:(3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine
組成式:C16 H16 N4 O
SMILES:C1CN([CH](CO1)c2ccccc2)c3ccnc4n[nH]cc34
InChi:InChI=1S/C16H16N4O/c1-2-4-12(5-3-1)15-11-21-9-8-20(15)14-6-7-17-16-13(14)10-18-19-16/h1-7,10,15H,8-9,11H2,(H,17,18,19)/t15-/m1/s1
定義日:2017-11-23
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:(3~{S})-3-phenyl-4-(2~{H}-pyrazolo[3,4-b]pyridin-4-yl)morpholine
9U7
9U7
表記:1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
組成式:C25 H30 N6 O2
SMILES:c64c(c(N2CCCc1cc(ccc12)c3cnn(c3)C)nn4C5CCOC5)CN(C(C)=O)CC6
InChi:InChI=1S/C25H30N6O2/c1-17(32)29-10-7-24-22(15-29)25(27-31(24)21-8-11-33-16-21)30-9-3-4-19-12-18(5-6-23(19)30)20-13-26-28(2)14-20/h5-6,12-14,21H,3-4,7-11,15-16H2,1-2H3/t21-/m0/s1
定義日:2017-06-09
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
9UA
9UA
表記:1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
組成式:C26 H30 F2 N6 O2
SMILES:C1CC(CO1)n6c2CCN(C(C)=O)Cc2c(N4CCCc3cc(c(cc34)C(F)F)c5cnn(c5)C)n6
InChi:InChI=1S/C26H30F2N6O2/c1-16(35)32-8-5-23-22(14-32)26(30-34(23)19-6-9-36-15-19)33-7-3-4-17-10-20(18-12-29-31(2)13-18)21(25(27)28)11-24(17)33/h10-13,19,25H,3-9,14-15H2,1-2H3/t19-/m0/s1
定義日:2017-06-09
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
9UD
9UD
表記:1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
組成式:C27 H32 F2 N6 O2
SMILES:c1(c(cc2c(c1)CCCN2c4nn(C3CCOCC3)c5CCN(Cc45)C(=O)C)C(F)F)c6cn(nc6)C
InChi:InChI=1S/C27H32F2N6O2/c1-17(36)33-9-5-24-23(16-33)27(31-35(24)20-6-10-37-11-7-20)34-8-3-4-18-12-21(19-14-30-32(2)15-19)22(26(28)29)13-25(18)34/h12-15,20,26H,3-11,16H2,1-2H3
定義日:2017-06-09
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one
97H
97H
表記:2-(3-aminophenyl)-3~{H}-quinazolin-4-one
組成式:C14 H11 N3 O
SMILES:Nc1cccc(c1)C2=Nc3ccccc3C(=O)N2
InChi:InChI=1S/C14H11N3O/c15-10-5-3-4-9(8-10)13-16-12-7-2-1-6-11(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)
定義日:2017-04-27
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:2-(3-aminophenyl)-3~{H}-quinazolin-4-one
97K
97K
表記:2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one
組成式:C15 H10 N4 O
SMILES:O=C1NC(=Nc2ccccc12)c3ccc4n[nH]cc4c3
InChi:InChI=1S/C15H10N4O/c20-15-11-3-1-2-4-13(11)17-14(18-15)9-5-6-12-10(7-9)8-16-19-12/h1-8H,(H,16,19)(H,17,18,20)
定義日:2017-04-27
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:2-(2~{H}-indazol-5-yl)-3~{H}-quinazolin-4-one
97Z
97Z
表記:2-[4-morpholin-4-yl]-3,4-dihydroquinazolin-4-one
組成式:C18 H17 N3 O2
SMILES:O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCOCC4
InChi:InChI=1S/C18H17N3O2/c22-18-15-3-1-2-4-16(15)19-17(20-18)13-5-7-14(8-6-13)21-9-11-23-12-10-21/h1-8H,9-12H2,(H,19,20,22)
定義日:2017-04-28
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:2-(4-morpholin-4-ylphenyl)-3~{H}-quinazolin-4-one
86U
86U
表記:6,7-bis(fluoranyl)-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
組成式:C16 H17 F2 N3 O2
SMILES:Fc1cc2N=CN(CCC[CH]3NCCCC3=O)C(=O)c2cc1F
InChi:InChI=1S/C16H17F2N3O2/c17-11-7-10-14(8-12(11)18)20-9-21(16(10)23)6-2-3-13-15(22)4-1-5-19-13/h7-9,13,19H,1-6H2/t13-/m1/s1
定義日:2017-04-27
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:6,7-bis(fluoranyl)-3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
86X
86X
表記:6-chloranyl-7-fluoranyl-3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
組成式:C16 H17 Cl F N3 O2
SMILES:Fc1cc2N=CN(CCC[CH]3NCCCC3=O)C(=O)c2cc1Cl
InChi:InChI=1S/C16H17ClFN3O2/c17-11-7-10-14(8-12(11)18)20-9-21(16(10)23)6-2-3-13-15(22)4-1-5-19-13/h7-9,13,19H,1-6H2/t13-/m1/s1
定義日:2017-04-27
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:6-chloranyl-7-fluoranyl-3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
873
873
表記:3-[(2R)-2-oxidanyl-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one
組成式:C16 H21 N3 O3
SMILES:O[CH](C[CH]1NCCC[CH]1O)CN2C=Nc3ccccc3C2=O
InChi:InChI=1S/C16H21N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10-11,14-15,17,20-21H,3,6-9H2/t11-,14-,15-/m1/s1
定義日:2017-04-27
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:3-[(2~{R})-2-oxidanyl-3-[(2~{R},3~{R})-3-oxidanylpiperidin-2-yl]propyl]quinazolin-4-one
87C
87C
表記:3-[2-oxidanylidene-3-[(2R,3R)-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one
組成式:C16 H23 N3 O3
SMILES:O[CH]1CCCN[CH]1CC(=O)CN2C=NC3=C(CCCC3)C2=O
InChi:InChI=1S/C16H23N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h10,14-15,17,21H,1-9H2/t14-,15-/m1/s1
定義日:2017-04-27
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:3-[2-oxidanylidene-3-[(2~{R},3~{R})-3-oxidanylpiperidin-2-yl]propyl]-5,6,7,8-tetrahydroquinazolin-4-one
87F
87F
表記:3-[3-[(2R)-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
組成式:C16 H19 N3 O2
SMILES:O=C1CCCN[CH]1CCCN2C=Nc3ccccc3C2=O
InChi:InChI=1S/C16H19N3O2/c20-15-8-3-9-17-14(15)7-4-10-19-11-18-13-6-2-1-5-12(13)16(19)21/h1-2,5-6,11,14,17H,3-4,7-10H2/t14-/m1/s1
定義日:2017-04-28
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:3-[3-[(2~{R})-3-oxidanylidenepiperidin-2-yl]propyl]quinazolin-4-one
8O8
8O8
表記:~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
組成式:C22 H23 N3 O
SMILES:CN(Cc1cccc2cnccc12)C(=O)c3ccccc3[CH]4CCNC4
InChi:InChI=1S/C22H23N3O/c1-25(15-18-6-4-5-16-13-24-12-10-19(16)18)22(26)21-8-3-2-7-20(21)17-9-11-23-14-17/h2-8,10,12-13,17,23H,9,11,14-15H2,1H3/t17-/m0/s1
定義日:2017-02-14
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:~{N}-(isoquinolin-5-ylmethyl)-~{N}-methyl-2-[(3~{R})-pyrrolidin-3-yl]benzamide
8RD
8RD
表記:{4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1H-pyrazol-3-yl}(morpholin-4-yl)methanone
組成式:C26 H30 F N7 O3
SMILES:c2(cn1c(CNC)nnc1cc2)c3ccc(cc3OCCc4c(nn(c4C)C)C(N5CCOCC5)=O)F
InChi:InChI=1S/C26H30FN7O3/c1-17-20(25(31-32(17)3)26(35)33-9-12-36-13-10-33)8-11-37-22-14-19(27)5-6-21(22)18-4-7-23-29-30-24(15-28-2)34(23)16-18/h4-7,14,16,28H,8-13,15H2,1-3H3
定義日:2017-03-03
最終更新日:2018-03-02
公開日:2018-03-07
識別子（ID）:{4-[2-(5-fluoro-2-{3-[(methylamino)methyl][1,2,4]triazolo[4,3-a]pyridin-6-yl}phenoxy)ethyl]-1,5-dimethyl-1H-pyrazol-3-yl}(morpholin-4-yl)methanone

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