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M94
M94
表記:7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
組成式:C19 H21 N3 O
SMILES:CNCCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChi:InChI=1S/C19H21N3O/c1-21-10-9-14-3-2-4-17(11-14)23-13-15-5-6-16-7-8-19(20)22-18(16)12-15/h2-8,11-12,21H,9-10,13H2,1H3,(H2,20,22)
定義日:2015-08-20
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:7-[[3-[2-(methylamino)ethyl]phenoxy]methyl]quinolin-2-amine
IA7
IA7
表記:5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile
組成式:C15 H15 N7 S
SMILES:CC(C)(C)c1nc2nc(N)c(C#N)c(N)c2c(n1)c3sccn3
InChi:InChI=1S/C15H15N7S/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22)
定義日:2015-03-20
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:5,7-bis(azanyl)-2-tert-butyl-4-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidine-6-carbonitrile
7M3
7M3
表記:7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
組成式:C19 H21 N3 O
SMILES:CN(C)Cc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChi:InChI=1S/C19H21N3O/c1-22(2)12-14-4-3-5-17(10-14)23-13-15-6-7-16-8-9-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
定義日:2015-08-20
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:7-[[3-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
3OT
3OT
表記:2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one
組成式:C29 H31 N3 O3
SMILES:O=C1C=CC=C(C=C1OC)c2cc3nc(n(c3cc2)CCN4CCOCC4)CCc5ccccc5
InChi:InChI=1S/C29H31N3O3/c1-34-28-21-23(8-5-9-27(28)33)24-11-12-26-25(20-24)30-29(13-10-22-6-3-2-4-7-22)32(26)15-14-31-16-18-35-19-17-31/h2-9,11-12,20-21H,10,13-19H2,1H3
定義日:2014-09-30
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one
3WJ
3WJ
表記:4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one
組成式:C13 H11 N5 O
SMILES:O=C2c1c(ncnc1N)N(C=C2)c3ccc(N)cc3
InChi:InChI=1S/C13H11N5O/c14-8-1-3-9(4-2-8)18-6-5-10(19)11-12(15)16-7-17-13(11)18/h1-7H,14H2,(H2,15,16,17)
定義日:2014-11-26
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:4-amino-8-(4-aminophenyl)pyrido[2,3-d]pyrimidin-5(8H)-one
QAF
QAF
表記:{2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
組成式:C13 H16 N O6 P2
SMILES:[O-]P([O-])(=O)C(P([O-])([O-])=O)C[n+]1cccc(C#CCCCC)c1
InChi:InChI=1S/C13H19NO6P2/c1-2-3-4-5-7-12-8-6-9-14(10-12)11-13(21(15,16)17)22(18,19)20/h6,8-10,13H,2-4,11H2,1H3,(H3-,15,16,17,18,19,20)/p-3
定義日:2015-01-02
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:{2-[3-(hex-1-yn-1-yl)pyridinium-1-yl]ethane-1,1-diyl}bis(phosphonate)
8VJ
8VJ
表記:7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
組成式:C19 H21 N3 O
SMILES:CN(C)Cc1ccc(OCc2ccc3ccc(N)nc3c2)cc1
InChi:InChI=1S/C19H21N3O/c1-22(2)12-14-4-8-17(9-5-14)23-13-15-3-6-16-7-10-19(20)21-18(16)11-15/h3-11H,12-13H2,1-2H3,(H2,20,21)
定義日:2015-08-20
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:7-[[4-[(dimethylamino)methyl]phenoxy]methyl]quinolin-2-amine
904
904
表記:N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide
組成式:C24 H22 F2 N6 O3 S
SMILES:O=S(=O)(N(CC)C)Nc1ccc(F)c(c1F)C(=O)c3c2cc(cnc2nc3)c4cnc(nc4)C5CC5
InChi:InChI=1S/C24H22F2N6O3S/c1-3-32(2)36(34,35)31-19-7-6-18(25)20(21(19)26)22(33)17-12-30-24-16(17)8-14(9-29-24)15-10-27-23(28-11-15)13-4-5-13/h6-13,31H,3-5H2,1-2H3,(H,29,30)
定義日:2013-04-11
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:N'-(3-{[5-(2-cyclopropylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)-N-ethyl-N-methylsulfuric diamide
9M9
9M9
表記:7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
組成式:C17 H17 N3 O
SMILES:NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChi:InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)
定義日:2015-08-21
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:7-[[3-(aminomethyl)phenoxy]methyl]quinolin-2-amine
PVZ
PVZ
表記:[1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
組成式:C14 H29 N2 O7 P2
SMILES:O=P(O)(O)C(O)(P(=O)(O)O)C[n+]1ccn(c1)CCCCCCCCC
InChi:InChI=1S/C14H28N2O7P2/c1-2-3-4-5-6-7-8-9-15-10-11-16(13-15)12-14(17,24(18,19)20)25(21,22)23/h10-11,13,17H,2-9,12H2,1H3,(H3-,18,19,20,21,22,23)/p+1
定義日:2015-01-27
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:3-(2-hydroxy-2,2-diphosphonoethyl)-1-nonyl-1H-imidazol-3-ium
5B5
5B5
表記:(3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
組成式:C31 H45 N3 O8 S
SMILES:c4(ccc(S(=O)(N(CC(O)C(NC(OC1CCOC2OCC(C12)NCC)=O)Cc3ccccc3)CC(C)C)=O)cc4)OC
InChi:InChI=1S/C31H45N3O8S/c1-5-32-26-20-41-30-29(26)28(15-16-40-30)42-31(36)33-25(17-22-9-7-6-8-10-22)27(35)19-34(18-21(2)3)43(37,38)24-13-11-23(39-4)12-14-24/h6-14,21,25-30,32,35H,5,15-20H2,1-4H3,(H,33,36)/t25-,26-,27+,28-,29-,30-/m0/s1
定義日:2015-08-31
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:(3R,3aS,4S,7aS)-3-(ethylamino)hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
5B7
5B7
表記:(3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
組成式:C30 H42 N2 O9 S
SMILES:c1(ccc(cc1)S(=O)(N(CC(O)C(NC(OC2CCOC3OCC(C23)OC)=O)Cc4ccccc4)CC(C)C)=O)OC
InChi:InChI=1S/C30H42N2O9S/c1-20(2)17-32(42(35,36)23-12-10-22(37-3)11-13-23)18-25(33)24(16-21-8-6-5-7-9-21)31-30(34)41-26-14-15-39-29-28(26)27(38-4)19-40-29/h5-13,20,24-29,33H,14-19H2,1-4H3,(H,31,34)/t24-,25+,26-,27-,28+,29-/m0/s1
定義日:2015-09-01
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:(3R,3aR,4S,7aS)-3-methoxyhexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
5BY
5BY
表記:{2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid
組成式:C28 H42 B N5 O9
SMILES:C(=O)(NC(Cc1ccccc1)C(NC(CC(C)C)B(O)O)=O)C[C@H]=[C@H]c2cn(CCOCCOCCOCC(O)=O)nn2
InChi:InChI=1S/C28H42BN5O9/c1-21(2)17-25(29(39)40)31-28(38)24(18-22-7-4-3-5-8-22)30-26(35)10-6-9-23-19-34(33-32-23)11-12-41-13-14-42-15-16-43-20-27(36)37/h3-9,19,21,24-25,39-40H,10-18,20H2,1-2H3,(H,30,35)(H,31,38)(H,36,37)/b9-6+/t24-,25-/m0/s1
定義日:2015-09-04
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:{2-[2-(2-{4-[(1E)-4-{[(2S)-1-{[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]amino}-1-oxo-3-phenylpropan-2-yl]amino}-4-oxobut-1-en-1-yl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethoxy}acetic acid
5E5
5E5
表記:3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine
組成式:C12 H10 N4
SMILES:c1c3c(nnc3cnc1c2cnccc2)C
InChi:InChI=1S/C12H10N4/c1-8-10-5-11(9-3-2-4-13-6-9)14-7-12(10)16-15-8/h2-7H,1H3,(H,15,16)
定義日:2015-09-15
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:3-methyl-5-(pyridin-3-yl)-2H-pyrazolo[3,4-c]pyridine
5E6
5E6
表記:(1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine
組成式:C22 H23 N7
SMILES:C1CCC(N)CC1Nc2cccc(n2)c5c4cc(c3cccnc3)ncc4nn5
InChi:InChI=1S/C22H23N7/c23-15-5-1-6-16(10-15)26-21-8-2-7-18(27-21)22-17-11-19(14-4-3-9-24-12-14)25-13-20(17)28-29-22/h2-4,7-9,11-13,15-16H,1,5-6,10,23H2,(H,26,27)(H,28,29)/t15-,16-/m0/s1
定義日:2015-09-15
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:(1S,3S)-N-{6-[5-(pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]pyridin-2-yl}cyclohexane-1,3-diamine
5KZ
5KZ
表記:(1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol
組成式:C19 H32 N2 O14 S2
SMILES:C1(OC(C(C(C1OC(C)=O)OC(=O)C)OC(=O)C)COC(=O)C)S(=O)(=O)NCCCCCOS(=O)(=O)N
InChi:InChI=1S/C19H32N2O14S2/c1-11(22)30-10-15-16(32-12(2)23)17(33-13(3)24)18(34-14(4)25)19(35-15)36(26,27)21-8-6-5-7-9-31-37(20,28)29/h15-19,21H,5-10H2,1-4H3,(H2,20,28,29)/t15-,16-,17-,18-,19+/m1/s1
定義日:2015-10-15
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:(1S)-2,3,4,6-tetra-O-acetyl-1,5-anhydro-1-{[5-(sulfamoyloxy)pentyl]sulfamoyl}-D-allitol
5L0
5L0
表記:1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone
組成式:C21 H20 N4 O2
SMILES:C1COCCN1c2ccn3c(c2)c(cc3C(=O)C)c5n4ccnc4ccc5
InChi:InChI=1S/C21H20N4O2/c1-15(26)19-14-17(18-3-2-4-21-22-6-8-25(18)21)20-13-16(5-7-24(19)20)23-9-11-27-12-10-23/h2-8,13-14H,9-12H2,1H3
定義日:2015-10-15
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:1-[1-(imidazo[1,2-a]pyridin-5-yl)-7-(morpholin-4-yl)indolizin-3-yl]ethanone
6M8
6M8
表記:7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
組成式:C20 H23 N3 O
SMILES:CN(C)CCc1cccc(OCc2ccc3ccc(N)nc3c2)c1
InChi:InChI=1S/C20H23N3O/c1-23(2)11-10-15-4-3-5-18(12-15)24-14-16-6-7-17-8-9-20(21)22-19(17)13-16/h3-9,12-13H,10-11,14H2,1-2H3,(H2,21,22)
定義日:2015-08-20
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:7-[[3-[2-(dimethylamino)ethyl]phenoxy]methyl]quinolin-2-amine
4YV
4YV
表記:1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine
組成式:C21 H27 N7 O
SMILES:C1CN(CCC1OC)c2nc(ccn2)Nc4cc3n(cnc3cn4)C5CCCC5
InChi:InChI=1S/C21H27N7O/c1-29-16-7-10-27(11-8-16)21-22-9-6-19(26-21)25-20-12-18-17(13-23-20)24-14-28(18)15-4-2-3-5-15/h6,9,12-16H,2-5,7-8,10-11H2,1H3,(H,22,23,25,26)
定義日:2015-06-26
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:1-cyclopentyl-N-[2-(4-methoxypiperidin-1-yl)pyrimidin-4-yl]-1H-imidazo[4,5-c]pyridin-6-amine
4YW
4YW
表記:2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine
組成式:C20 H27 N7 O2 S
SMILES:c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)S(C)(=O)=O
InChi:InChI=1S/C20H27N7O2S/c1-13(2)27-14(3)23-16-12-22-19(11-17(16)27)24-18-5-8-21-20(25-18)26-9-6-15(7-10-26)30(4,28)29/h5,8,11-13,15H,6-7,9-10H2,1-4H3,(H,21,22,24,25)
定義日:2015-06-26
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine
4YX
4YX
表記:N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine
組成式:C22 H32 N8 O
SMILES:c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)N4CCC(CC4)(CCN)OC
InChi:InChI=1S/C22H32N8O/c1-15(2)30-16(3)26-17-14-25-20(13-18(17)30)27-19-5-10-24-21(28-19)29-11-7-22(31-4,6-9-23)8-12-29/h5,10,13-15H,6-9,11-12,23H2,1-4H3,(H,24,25,27,28)
定義日:2015-06-26
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:N-{2-[4-(2-aminoethyl)-4-methoxypiperidin-1-yl]pyrimidin-4-yl}-2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine
4Z8
4Z8
表記:2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide
組成式:C19 H26 N8 O
SMILES:c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)NCC(C(=O)N)(C)C
InChi:InChI=1S/C19H26N8O/c1-11(2)27-12(3)24-13-9-22-16(8-14(13)27)25-15-6-7-21-18(26-15)23-10-19(4,5)17(20)28/h6-9,11H,10H2,1-5H3,(H2,20,28)(H2,21,22,23,25,26)
定義日:2015-06-30
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl)amino]propanamide
4ZG
4ZG
表記:N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine
組成式:C19 H27 N7 O2 S
SMILES:c21nc(C)n(C(C)C)c1cc(nc2)Nc3ccnc(n3)NCC(C)(C)S(=O)(=O)C
InChi:InChI=1S/C19H27N7O2S/c1-12(2)26-13(3)23-14-10-21-17(9-15(14)26)24-16-7-8-20-18(25-16)22-11-19(4,5)29(6,27)28/h7-10,12H,11H2,1-6H3,(H2,20,21,22,24,25)
定義日:2015-07-01
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:N~2~-[2-methyl-2-(methylsulfonyl)propyl]-N~4~-[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]pyrimidine-2,4-diamine
4ZH
4ZH
表記:2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
組成式:C19 H26 N6 O3 S
SMILES:CC(C)n1c(C)nc2cnc(Nc3ccnc(OCC(C)(C)[S](C)(=O)=O)n3)cc12
InChi:InChI=1S/C19H26N6O3S/c1-12(2)25-13(3)22-14-10-21-17(9-15(14)25)23-16-7-8-20-18(24-16)28-11-19(4,5)29(6,26)27/h7-10,12H,11H2,1-6H3,(H,20,21,23,24)
定義日:2015-07-01
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:2-methyl-N-[2-(2-methyl-2-methylsulfonyl-propoxy)pyrimidin-4-yl]-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
4ZJ
4ZJ
表記:N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine
組成式:C20 H26 F N7 O
SMILES:CO[CH]1CCN(C[CH]1F)c2nccc(Nc3cc4n(C(C)C)c(C)nc4cn3)n2
InChi:InChI=1S/C20H26FN7O/c1-12(2)28-13(3)24-15-10-23-19(9-16(15)28)25-18-5-7-22-20(26-18)27-8-6-17(29-4)14(21)11-27/h5,7,9-10,12,14,17H,6,8,11H2,1-4H3,(H,22,23,25,26)/t14-,17+/m1/s1
定義日:2015-07-01
最終更新日:2015-10-23
公開日:2015-10-28
識別子（ID）:N-[2-[(3R,4S)-3-fluoranyl-4-methoxy-piperidin-1-yl]pyrimidin-4-yl]-2-methyl-1-propan-2-yl-imidazo[4,5-c]pyridin-6-amine

235183

件を2025-04-23に公開中

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