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JXX
JXX
表記:2-chloro-4-(morpholin-4-yl)quinazoline
組成式:C12 H12 Cl N3 O
SMILES:Clc1nc(N2CCOCC2)c2ccccc2n1
InChi:InChI=1S/C12H12ClN3O/c13-12-14-10-4-2-1-3-9(10)11(15-12)16-5-7-17-8-6-16/h1-4H,5-8H2
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:2-chloro-4-(morpholin-4-yl)quinazoline
JY3
JY3
表記:7-[({5-methyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methyl)sulfanyl]-8H-imidazo[4,5-g][1,3]benzothiazole
組成式:C18 H18 N4 O S2
SMILES:CC(C)Oc1cc(ncc1C)CSc1nc2ccc3ncsc3c2[NH]1
InChi:InChI=1S/C18H18N4OS2/c1-10(2)23-15-6-12(19-7-11(15)3)8-24-18-21-13-4-5-14-17(16(13)22-18)25-9-20-14/h4-7,9-10H,8H2,1-3H3,(H,21,22)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:7-[({5-methyl-4-[(propan-2-yl)oxy]pyridin-2-yl}methyl)sulfanyl]-8H-imidazo[4,5-g][1,3]benzothiazole
JYA
JYA
表記:(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine-6-carbonitrile
組成式:C15 H15 N5 O
SMILES:COc1ccc2nc(C#N)c3c(C)nc(CCC)n3c2n1
InChi:InChI=1S/C15H15N5O/c1-4-5-12-17-9(2)14-11(8-16)18-10-6-7-13(21-3)19-15(10)20(12)14/h6-7H,4-5H2,1-3H3
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazine-6-carbonitrile
JYL
JYL
表記:(4S)-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-3-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
組成式:C22 H24 N6 O
SMILES:Cn1cc(nc1CCNC(=O)c1cccn2c1nnc2C(C)C)c1ccccc1
InChi:InChI=1S/C22H24N6O/c1-15(2)20-25-26-21-17(10-7-13-28(20)21)22(29)23-12-11-19-24-18(14-27(19)3)16-8-5-4-6-9-16/h4-10,13-15H,11-12H2,1-3H3,(H,23,29)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(4S)-N-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-3-(propan-2-yl)[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
JYU
JYU
表記:N-(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)-1-phenyl-3-{[(pyridin-2-yl)oxy]methyl}-1H-thieno[2,3-c]pyrazole-5-carboxamide
組成式:C26 H26 N6 O2 S
SMILES:CC(C)(C)n1nc(C)cc1NC(=O)c1cc2c(nn(c3ccccc3)c2s1)COc1ccccn1
InChi:InChI=1S/C26H26N6O2S/c1-17-14-22(32(29-17)26(2,3)4)28-24(33)21-15-19-20(16-34-23-12-8-9-13-27-23)30-31(25(19)35-21)18-10-6-5-7-11-18/h5-15H,16H2,1-4H3,(H,28,33)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N-(1-tert-butyl-3-methyl-1H-pyrazol-5-yl)-1-phenyl-3-{[(pyridin-2-yl)oxy]methyl}-1H-thieno[2,3-c]pyrazole-5-carboxamide
K0C
K0C
表記:2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline
組成式:C19 H18 N4 O S
SMILES:Cc1c(OC)c(C)cnc1CSc1nc2ccc3ncccc3c2[NH]1
InChi:InChI=1S/C19H18N4OS/c1-11-9-21-16(12(2)18(11)24-3)10-25-19-22-15-7-6-14-13(17(15)23-19)5-4-8-20-14/h4-9H,10H2,1-3H3,(H,22,23)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:2-{[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]sulfanyl}-1H-imidazo[4,5-f]quinoline
K0R
K0R
表記:4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
組成式:C18 H15 Cl N6 O
SMILES:Clc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C)nc1C
InChi:InChI=1S/C18H15ClN6O/c1-11-15(19)16(24(2)23-11)17(26)21-14-8-9-25-10-13(20-18(25)22-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,22,26)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:4-chloro-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide
K18
K18
表記:N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea
組成式:C17 H20 N6 O
SMILES:Cc1cc(C)nn1CCNC(=O)Nc1ccnn1c1ccccc1
InChi:InChI=1S/C17H20N6O/c1-13-12-14(2)22(21-13)11-10-18-17(24)20-16-8-9-19-23(16)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H2,18,20,24)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-N'-(1-phenyl-1H-pyrazol-5-yl)urea
K1I
K1I
表記:3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one
組成式:C21 H14 F2 N4 O5 S
SMILES:CS(=O)(=O)c1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cccc2OC(F)(F)Oc12
InChi:InChI=1S/C21H14F2N4O5S/c1-33(29,30)14-5-2-4-13(12-14)26-11-9-17(28)19(25-26)15-8-10-24-27(15)16-6-3-7-18-20(16)32-21(22,23)31-18/h2-12H,1H3
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:3-[1-(2,2-difluoro-2H-1,3-benzodioxol-4-yl)-1H-pyrazol-5-yl]-1-[3-(methanesulfonyl)phenyl]pyridazin-4(1H)-one
K1X
K1X
表記:3-[1-(quinolin-4-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
組成式:C23 H14 F3 N5 O2
SMILES:FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1ccnc2ccccc12
InChi:InChI=1S/C23H14F3N5O2/c24-23(25,26)33-16-5-3-4-15(14-16)30-13-10-21(32)22(29-30)20-9-12-28-31(20)19-8-11-27-18-7-2-1-6-17(18)19/h1-14H
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:3-[1-(quinolin-4-yl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one
K2L
K2L
表記:1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one
組成式:C17 H21 N7 O
SMILES:O=C1CCCN1c1nc(CCc2nc3c(C)cnc(C)n3n2)n(C)c1
InChi:InChI=1S/C17H21N7O/c1-11-9-18-12(2)24-17(11)19-13(21-24)6-7-14-20-15(10-22(14)3)23-8-4-5-16(23)25/h9-10H,4-8H2,1-3H3
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:1-(2-{2-[(4S)-5,8-dimethyl[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]ethyl}-1-methyl-1H-imidazol-4-yl)pyrrolidin-2-one
K3F
K3F
表記:4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide
組成式:C18 H14 Cl N5 O
SMILES:O=C(Nc1ccc2[NH]c(nc2c1)c1ccccc1)c1c(Cl)cnn1C
InChi:InChI=1S/C18H14ClN5O/c1-24-16(13(19)10-20-24)18(25)21-12-7-8-14-15(9-12)23-17(22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,25)(H,22,23)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:4-chloro-1-methyl-N-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-5-carboxamide
K3O
K3O
表記:N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
組成式:C15 H14 F3 N5
SMILES:FC(F)(F)c1cccc(c1)c1c[NH]c2nc(N)nc(NCC)c21
InChi:InChI=1S/C15H14F3N5/c1-2-20-12-11-10(7-21-13(11)23-14(19)22-12)8-4-3-5-9(6-8)15(16,17)18/h3-7H,2H2,1H3,(H4,19,20,21,22,23)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N~4~-ethyl-5-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
K40
K40
表記:5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
組成式:C11 H8 Cl2 N2 O
SMILES:O=C1NCCc2c1[NH]c1c(Cl)ccc(Cl)c12
InChi:InChI=1S/C11H8Cl2N2O/c12-6-1-2-7(13)10-8(6)5-3-4-14-11(16)9(5)15-10/h1-2,15H,3-4H2,(H,14,16)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:5,8-dichloro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
K49
K49
表記:6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
組成式:C23 H25 N7 O3
SMILES:O=C(Nc1cnccc1C(=O)NCC(C)(C)O)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C23H25N7O3/c1-23(2,33)12-27-21(31)16-7-8-24-11-19(16)30-22(32)20-18(28-15-9-25-13-26-10-15)6-5-17(29-20)14-3-4-14/h5-11,13-14,28,33H,3-4,12H2,1-2H3,(H,27,31)(H,30,32)
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:6-cyclopropyl-N-{4-[(2-hydroxy-2-methylpropyl)carbamoyl]pyridin-3-yl}-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
K4L
K4L
表記:(5S)-5-(2-phenylethyl)[3,4'-bipyridin]-6(5H)-one
組成式:C18 H16 N2 O
SMILES:O=C1N=CC(=CC1CCc1ccccc1)c1ccncc1
InChi:InChI=1S/C18H16N2O/c21-18-16(7-6-14-4-2-1-3-5-14)12-17(13-20-18)15-8-10-19-11-9-15/h1-5,8-13,16H,6-7H2/t16-/m0/s1
定義日:2022-02-02
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(5S)-5-(2-phenylethyl)[3,4'-bipyridin]-6(5H)-one
K4U
K4U
表記:6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
組成式:C21 H26 N8 O S
SMILES:O=C(NC1=NC(CN2CCCCC2)CS1)c1nc(cnc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C21H26N8OS/c30-20(28-21-26-16(12-31-21)11-29-6-2-1-3-7-29)18-19(25-15-8-22-13-23-9-15)24-10-17(27-18)14-4-5-14/h8-10,13-14,16H,1-7,11-12H2,(H,24,25)(H,26,28,30)/t16-/m0/s1
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:6-cyclopropyl-N-{(4S)-4-[(piperidin-1-yl)methyl]-4,5-dihydro-1,3-thiazol-2-yl}-3-[(pyrimidin-5-yl)amino]pyrazine-2-carboxamide
K5F
K5F
表記:N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
組成式:C21 H20 N6 O2
SMILES:O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N(C)C
InChi:InChI=1S/C21H20N6O2/c1-25(2)21(29)16-12-22-26(3)19(16)20(28)23-15-9-10-27-13-17(24-18(27)11-15)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,23,28)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N~4~,N~4~,1-trimethyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide
K5R
K5R
表記:6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
組成式:C21 H21 N7 O2
SMILES:O=C(Nc1cnccc1C(=O)N(C)C)c1nc(ccc1Nc1cncnc1)C1CC1
InChi:InChI=1S/C21H21N7O2/c1-28(2)21(30)15-7-8-22-11-18(15)27-20(29)19-17(25-14-9-23-12-24-10-14)6-5-16(26-19)13-3-4-13/h5-13,25H,3-4H2,1-2H3,(H,27,29)
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
K63
K63
表記:N-[3-cyano-2-(2'-ethoxy[1,1'-biphenyl]-4-yl)-6-fluoroquinolin-4-yl]-D-alanine
組成式:C27 H22 F N3 O3
SMILES:O=C(O)C(C)Nc1c2cc(F)ccc2nc(c1C#N)c1ccc(cc1)c1ccccc1OCC
InChi:InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m1/s1
定義日:2022-02-03
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N-[3-cyano-2-(2'-ethoxy[1,1'-biphenyl]-4-yl)-6-fluoroquinolin-4-yl]-D-alanine
LT0
LT0
表記:D-tryptophyl-L-serine
組成式:C14 H17 N3 O4
SMILES:N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C(O)=O
InChi:InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)/t10-,12+/m1/s1
別名:(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid
定義日:2022-07-12
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid
I9Z
I9Z
表記:5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole
組成式:C22 H21 N3 O
SMILES:Cn1cc(nc1CCc1nc(oc1C)c1ccccc1)c1ccccc1
InChi:InChI=1S/C22H21N3O/c1-16-19(24-22(26-16)18-11-7-4-8-12-18)13-14-21-23-20(15-25(21)2)17-9-5-3-6-10-17/h3-12,15H,13-14H2,1-2H3
定義日:2022-01-25
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:5-methyl-4-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]-2-phenyl-1,3-oxazole
IAI
IAI
表記:1-methyl-N~4~-[(1,3-oxazol-4-yl)methyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide
組成式:C22 H18 N8 O3
SMILES:O=C(NCc1cocn1)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1
InChi:InChI=1S/C22H18N8O3/c1-29-19(16(10-25-29)20(31)23-9-15-12-33-13-24-15)21(32)27-18-7-8-30-11-17(26-22(30)28-18)14-5-3-2-4-6-14/h2-8,10-13H,9H2,1H3,(H,23,31)(H,26,27,28,32)
定義日:2022-01-25
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:1-methyl-N~4~-[(1,3-oxazol-4-yl)methyl]-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide
IAL
IAL
表記:N~4~,N~4~,1-trimethyl-N~5~-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-4,5-dicarboxamide
組成式:C21 H20 N6 O2
SMILES:O=C(c1cnn(C)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1ccccc1)N(C)C
InChi:InChI=1S/C21H20N6O2/c1-26(2)21(29)15-12-22-27(3)18(15)20(28)23-14-9-10-16-17(11-14)25-19(24-16)13-7-5-4-6-8-13/h4-12H,1-3H3,(H,23,28)(H,24,25)
定義日:2022-01-25
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:N~4~,N~4~,1-trimethyl-N~5~-(2-phenyl-1H-benzimidazol-5-yl)-1H-pyrazole-4,5-dicarboxamide
IAY
IAY
表記:4-(6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyridin-2-yl)morpholine
組成式:C21 H26 N4 O
SMILES:CN1CC(N=C1CCc1nc(ccc1)N1CCOCC1)c1ccccc1
InChi:InChI=1S/C21H26N4O/c1-24-16-19(17-6-3-2-4-7-17)23-20(24)11-10-18-8-5-9-21(22-18)25-12-14-26-15-13-25/h2-9,19H,10-16H2,1H3/t19-/m1/s1
定義日:2022-01-25
最終更新日:2022-10-07
公開日:2022-10-12
識別子（ID）:4-(6-{2-[(4S)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]ethyl}pyridin-2-yl)morpholine

222415

件を2024-07-10に公開中

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