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91G
91G
表記:N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide
組成式:C30 H33 Cl N6 O3
SMILES:N1(CCN(CC1)C(CC)=O)c5c2c(cc(c(Cl)c2)c3cc(O)cc4c3cccc4)nc(NCCC(=O)N(C)C)n5
InChi:InChI=1S/C30H33ClN6O3/c1-4-27(39)36-11-13-37(14-12-36)29-24-17-25(31)23(22-16-20(38)15-19-7-5-6-8-21(19)22)18-26(24)33-30(34-29)32-10-9-28(40)35(2)3/h5-8,15-18,38H,4,9-14H2,1-3H3,(H,32,33,34)
定義日:2017-03-27
最終更新日:2017-08-18
公開日:2017-08-23
識別子（ID）:N~3~-[6-chloro-7-(3-hydroxynaphthalen-1-yl)-4-(4-propanoylpiperazin-1-yl)quinazolin-2-yl]-N,N-dimethyl-beta-alaninamide
93J
93J
表記:(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
組成式:C24 H23 Cl F N5 O2
SMILES:c21c(cc(OCC)c(NC([C@H]=CCN(C)C)=O)c1)ncc(c2Nc3cc(c(cc3)F)Cl)C#N
InChi:InChI=1S/C24H23ClFN5O2/c1-4-33-22-12-20-17(11-21(22)30-23(32)6-5-9-31(2)3)24(15(13-27)14-28-20)29-16-7-8-19(26)18(25)10-16/h5-8,10-12,14H,4,9H2,1-3H3,(H,28,29)(H,30,32)/b6-5+
定義日:2017-04-03
最終更新日:2017-08-18
公開日:2017-08-23
識別子（ID）:(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide
B8P
B8P
表記:3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid
組成式:C17 H15 N3 O3
SMILES:c21ccccc1nc(CCC(=O)O)c(n2)OCc3ccccn3
InChi:InChI=1S/C17H15N3O3/c21-16(22)9-8-15-17(23-11-12-5-3-4-10-18-12)20-14-7-2-1-6-13(14)19-15/h1-7,10H,8-9,11H2,(H,21,22)
定義日:2017-08-07
最終更新日:2017-08-18
公開日:2017-08-23
識別子（ID）:3-{3-[(pyridin-2-yl)methoxy]quinoxalin-2-yl}propanoic acid
72K
72K
表記:4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide
組成式:C30 H29 N5 O2
SMILES:Cc1nn(c2ccc(C(N)=O)c(N[CH]3CC[CH](O)CC3)c2)c4cccc(c5cnc6ccccc6c5)c14
InChi:InChI=1S/C30H29N5O2/c1-18-29-24(20-15-19-5-2-3-7-26(19)32-17-20)6-4-8-28(29)35(34-18)22-11-14-25(30(31)37)27(16-22)33-21-9-12-23(36)13-10-21/h2-8,11,14-17,21,23,33,36H,9-10,12-13H2,1H3,(H2,31,37)/t21-,23-
定義日:2016-08-16
最終更新日:2017-08-18
公開日:2017-08-23
識別子（ID）:4-(3-methyl-4-quinolin-3-yl-indazol-1-yl)-2-[(4-oxidanylcyclohexyl)amino]benzamide
Y55
Y55
表記:7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione
組成式:C13 H9 N O4
SMILES:N1(O)C(=O)c3c(CC1=O)ccc(c2occc2)c3
InChi:InChI=1S/C13H9NO4/c15-12-7-8-3-4-9(11-2-1-5-18-11)6-10(8)13(16)14(12)17/h1-6,17H,7H2
定義日:2017-02-21
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:7-(furan-2-yl)-2-hydroxyisoquinoline-1,3(2H,4H)-dione
9OG
9OG
表記:4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile
組成式:C20 H20 N4
SMILES:C(Cc1ccc(C#N)cc1)NCc2ccc3c(c2)nc(N)cc3C
InChi:InChI=1S/C20H20N4/c1-14-10-20(22)24-19-11-17(6-7-18(14)19)13-23-9-8-15-2-4-16(12-21)5-3-15/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)
定義日:2017-05-23
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)benzonitrile
9OJ
9OJ
表記:4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
組成式:C21 H22 N4
SMILES:N#Cc1c(C)cc(cc1)CCNCc2cc3c(cc2)c(cc(n3)N)C
InChi:InChI=1S/C21H22N4/c1-14-9-16(3-5-18(14)12-22)7-8-24-13-17-4-6-19-15(2)10-21(23)25-20(19)11-17/h3-6,9-11,24H,7-8,13H2,1-2H3,(H2,23,25)
定義日:2017-05-23
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-amino-4-methylquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
9OM
9OM
表記:7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
組成式:C19 H22 N4
SMILES:Nc1ccc2c(n1)cc(cc2)CNCCCc3c(C)ccnc3
InChi:InChI=1S/C19H22N4/c1-14-8-10-22-13-17(14)3-2-9-21-12-15-4-5-16-6-7-19(20)23-18(16)11-15/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
定義日:2017-05-23
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:7-({[3-(4-methylpyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
9OS
9OS
表記:7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
組成式:C19 H22 N4 O
SMILES:c13c(ccc(N)n1)ccc(CNCCCc2cnccc2OC)c3
InChi:InChI=1S/C19H22N4O/c1-24-18-8-10-22-13-16(18)3-2-9-21-12-14-4-5-15-6-7-19(20)23-17(15)11-14/h4-8,10-11,13,21H,2-3,9,12H2,1H3,(H2,20,23)
定義日:2017-05-23
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:7-({[3-(4-methoxypyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
9P1
9P1
表記:7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
組成式:C19 H22 N4
SMILES:c3(N)ccc2ccc(CNCc1ccc(cc1)N(C)C)cc2n3
InChi:InChI=1S/C19H22N4/c1-23(2)17-8-4-14(5-9-17)12-21-13-15-3-6-16-7-10-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
定義日:2017-05-24
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:7-[({[4-(dimethylamino)phenyl]methyl}amino)methyl]quinolin-2-amine
9P4
9P4
表記:7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
組成式:C18 H19 F N4
SMILES:Fc1cncc(c1)CCCNCc2cc3nc(ccc3cc2)N
InChi:InChI=1S/C18H19FN4/c19-16-8-13(11-22-12-16)2-1-7-21-10-14-3-4-15-5-6-18(20)23-17(15)9-14/h3-6,8-9,11-12,21H,1-2,7,10H2,(H2,20,23)
定義日:2017-05-24
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:7-({[3-(5-fluoropyridin-3-yl)propyl]amino}methyl)quinolin-2-amine
9P7
9P7
表記:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
組成式:C20 H20 N4
SMILES:c31nc(ccc1ccc(CNCCc2cc(c(C#N)cc2)C)c3)N
InChi:InChI=1S/C20H20N4/c1-14-10-15(2-5-18(14)12-21)8-9-23-13-16-3-4-17-6-7-20(22)24-19(17)11-16/h2-7,10-11,23H,8-9,13H2,1H3,(H2,22,24)
定義日:2017-05-24
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-methylbenzonitrile
9PM
9PM
表記:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile
組成式:C19 H17 Cl N4
SMILES:N#Cc1ccc(cc1Cl)CCNCc2cc3c(cc2)ccc(N)n3
InChi:InChI=1S/C19H17ClN4/c20-17-9-13(1-4-16(17)11-21)7-8-23-12-14-2-3-15-5-6-19(22)24-18(15)10-14/h1-6,9-10,23H,7-8,12H2,(H2,22,24)
定義日:2017-05-24
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)-2-chlorobenzonitrile
9TT
9TT
表記:1-methylindol-5-amine
組成式:C9 H10 N2
SMILES:Cn1ccc2cc(N)ccc12
InChi:InChI=1S/C9H10N2/c1-11-5-4-7-6-8(10)2-3-9(7)11/h2-6H,10H2,1H3
定義日:2017-07-11
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:1-methylindol-5-amine
A7Y
A7Y
表記:N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide
組成式:C29 H28 Cl N3 O2
SMILES:c5(ccc(CN1CC(CC1)N(C)C(c4c2ccccc2nc(c3cc(ccc3)OC)c4)=O)cc5)Cl
InChi:InChI=1S/C29H28ClN3O2/c1-32(23-14-15-33(19-23)18-20-10-12-22(30)13-11-20)29(34)26-17-28(21-6-5-7-24(16-21)35-2)31-27-9-4-3-8-25(26)27/h3-13,16-17,23H,14-15,18-19H2,1-2H3/t23-/m1/s1
定義日:2017-07-10
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:N-{(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl}-2-(3-methoxyphenyl)-N-methylquinoline-4-carboxamide
M62
M62
表記:7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine
組成式:C16 H14 F N3
SMILES:n1c2c(ccc1N)ccc(c2)CNc3cc(ccc3)F
InChi:InChI=1S/C16H14FN3/c17-13-2-1-3-14(9-13)19-10-11-4-5-12-6-7-16(18)20-15(12)8-11/h1-9,19H,10H2,(H2,18,20)
定義日:2017-05-23
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:7-{[(3-fluorophenyl)amino]methyl}quinolin-2-amine
7BF
7BF
表記:5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline
組成式:C19 H18 N6 O
SMILES:C1C[CH](COc2cccc3cnccc23)N(C1)c4ccnc5ncnn45
InChi:InChI=1S/C19H18N6O/c1-3-14-11-20-8-6-16(14)17(5-1)26-12-15-4-2-10-24(15)18-7-9-21-19-22-13-23-25(18)19/h1,3,5-9,11,13,15H,2,4,10,12H2/t15-/m1/s1
定義日:2016-09-29
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:5-[[(2~{R})-1-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methoxy]isoquinoline
P64
P64
表記:7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
組成式:C20 H24 N4
SMILES:CN(c1ccc(cc1)CCNCc2cc3c(cc2)ccc(N)n3)C
InChi:InChI=1S/C20H24N4/c1-24(2)18-8-4-15(5-9-18)11-12-22-14-16-3-6-17-7-10-20(21)23-19(17)13-16/h3-10,13,22H,11-12,14H2,1-2H3,(H2,21,23)
定義日:2017-05-24
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:7-[({2-[4-(dimethylamino)phenyl]ethyl}amino)methyl]quinolin-2-amine
P94
P94
表記:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
組成式:C19 H18 N4
SMILES:N#Cc3ccc(CCNCc1cc2c(cc1)ccc(N)n2)cc3
InChi:InChI=1S/C19H18N4/c20-12-15-3-1-14(2-4-15)9-10-22-13-16-5-6-17-7-8-19(21)23-18(17)11-16/h1-8,11,22H,9-10,13H2,(H2,21,23)
定義日:2017-05-24
最終更新日:2017-08-11
公開日:2017-08-16
識別子（ID）:4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
9QK
9QK
表記:2-(3-fluorophenyl)quinoline-4-carboxylic acid
組成式:C16 H10 F N O2
SMILES:OC(=O)c1cc(nc2ccccc12)c3cccc(F)c3
InChi:InChI=1S/C16H10FNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)
定義日:2017-06-28
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:2-(3-fluorophenyl)quinoline-4-carboxylic acid
9QT
9QT
表記:2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid
組成式:C16 H9 Cl F N O2
SMILES:OC(=O)c1cc(nc2ccccc12)c3cc(F)cc(Cl)c3
InChi:InChI=1S/C16H9ClFNO2/c17-10-5-9(6-11(18)7-10)15-8-13(16(20)21)12-3-1-2-4-14(12)19-15/h1-8H,(H,20,21)
定義日:2017-06-29
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:2-(3-chloranyl-5-fluoranyl-phenyl)quinoline-4-carboxylic acid
LS8
LS8
表記:4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide
組成式:C19 H17 N3 O4 S
SMILES:COc1cc(ccc1[S](=O)(=O)Nc2ccc3N(C)C(=O)C(=Cc3c2)C)C#N
InChi:InChI=1S/C19H17N3O4S/c1-12-8-14-10-15(5-6-16(14)22(2)19(12)23)21-27(24,25)18-7-4-13(11-20)9-17(18)26-3/h4-10,21H,1-3H3
定義日:2017-01-26
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:4-cyano-~{N}-(1,3-dimethyl-2-oxidanylidene-quinolin-6-yl)-2-methoxy-benzenesulfonamide
81V
81V
表記:N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide
組成式:C25 H27 F2 N3 O5
SMILES:c3c(C#Cc1ccc(C(=O)NC(C(=O)NO)C(C)(O)C(F)F)cc1)ccc(CN2CCOCC2)c3
InChi:InChI=1S/C25H27F2N3O5/c1-25(33,24(26)27)21(23(32)29-34)28-22(31)20-10-8-18(9-11-20)3-2-17-4-6-19(7-5-17)16-30-12-14-35-15-13-30/h4-11,21,24,33-34H,12-16H2,1H3,(H,28,31)(H,29,32)/t21-,25+/m1/s1
定義日:2016-12-14
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-({4-[(morpholin-4-yl)methyl]phenyl}ethynyl)benzamide
QZQ
QZQ
表記:Betulinic Acid
組成式:C30 H46 O3
SMILES:CC(=C)[CH]1CC[C]2(CC[C]3(C)[CH](CC[CH]4[C]5(C)C=C[CH](O)C(C)(C)[CH]5CC[C]34C)[CH]12)C(O)=O
InChi:InChI=1S/C30H46O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h12-13,19-24,31H,1,8-11,14-17H2,2-7H3,(H,32,33)/t19-,20+,21+,22+,23-,24+,27-,28+,29+,30-/m0/s1
定義日:2016-08-26
最終更新日:2017-08-04
公開日:2017-08-09
識別子（ID）:(1~{R},3~{a}~{S},5~{a}~{R},5~{b}~{R},7~{a}~{S},9~{S},11~{a}~{R},11~{b}~{R},13~{a}~{R},13~{b}~{R})-5~{a},5~{b},8,8,11~{a}-pentamethyl-9-oxidanyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7~{a},9,11~{b},12,13,13~{a},13~{b}-tetradecahydrocyclopenta[a]chrysene-3~{a}-carboxylic acid
9ZV
9ZV
表記:3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid
組成式:C20 H16 N4 O3
SMILES:C(c1ccccc1)C3=NN4C(CCC(=O)O)=Nc2ccccc2C4=NC3=O
InChi:InChI=1S/C20H16N4O3/c25-18(26)11-10-17-21-15-9-5-4-8-14(15)19-22-20(27)16(23-24(17)19)12-13-6-2-1-3-7-13/h1-9H,10-12H2,(H,25,26)
定義日:2017-06-30
最終更新日:2017-07-28
公開日:2017-08-02
識別子（ID）:3-(3-benzyl-2-oxo-2H-[1,2,4]triazino[2,3-c]quinazolin-6-yl)propanoic acid

222415

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