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HVZ
HVZ
表記:~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide
組成式:C14 H17 Cl N4 O3 S
SMILES:CC(C)(C(=O)NCc1cn(Cc2ccc(Cl)cc2)nn1)[SH](=O)=O
InChi:InChI=1S/C14H17ClN4O3S/c1-14(2,23(21)22)13(20)16-7-12-9-19(18-17-12)8-10-3-5-11(15)6-4-10/h3-6,9,23H,7-8H2,1-2H3,(H,16,20)
定義日:2018-12-21
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:~{N}-[[1-[(4-chlorophenyl)methyl]-1,2,3-triazol-4-yl]methyl]-2-hydrosulfonyl-2-methyl-propanamide
QPV
QPV
表記:3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
組成式:C21 H23 Cl N2 O2
SMILES:C(C3(c1ccc(cc1)NC(c2cccc(c2)Cl)=O)CCC3)(NCCC)=O
InChi:InChI=1S/C21H23ClN2O2/c1-2-13-23-20(26)21(11-4-12-21)16-7-9-18(10-8-16)24-19(25)15-5-3-6-17(22)14-15/h3,5-10,14H,2,4,11-13H2,1H3,(H,23,26)(H,24,25)
定義日:2019-12-06
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:3-chloro-N-{4-[1-(propylcarbamoyl)cyclobutyl]phenyl}benzamide
R1V
R1V
表記:N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid
組成式:C15 H25 N O4
SMILES:CC(C)=[C@H]CCC(C)=[C@H]CNC(C(O)=O)CCC(=O)O
InChi:InChI=1S/C15H25NO4/c1-11(2)5-4-6-12(3)9-10-16-13(15(19)20)7-8-14(17)18/h5,9,13,16H,4,6-8,10H2,1-3H3,(H,17,18)(H,19,20)/b12-9+/t13-/m0/s1
定義日:2020-01-23
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-L-glutamic acid
OKZ
OKZ
表記:4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide
組成式:C13 H14 N2 O4 S
SMILES:CCCN[S](=O)(=O)c1ccc(cc1)N2C(=O)C=CC2=O
InChi:InChI=1S/C13H14N2O4S/c1-2-9-14-20(18,19)11-5-3-10(4-6-11)15-12(16)7-8-13(15)17/h3-8,14H,2,9H2,1H3
定義日:2020-03-19
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide
OL8
OL8
表記:~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide
組成式:C15 H10 N2 O4
SMILES:O=C(Nc1cccc(c1)N2C(=O)C=CC2=O)c3occc3
InChi:InChI=1S/C15H10N2O4/c18-13-6-7-14(19)17(13)11-4-1-3-10(9-11)16-15(20)12-5-2-8-21-12/h1-9H,(H,16,20)
定義日:2020-03-19
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide
R4S
R4S
表記:N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
組成式:C18 H22 F N7 O2
SMILES:n1cc(cn1CCO)Nc2ncc(c(n2)N3CC4C(C3)(C4)NC(C5CC5)=O)F
InChi:InChI=1S/C18H22FN7O2/c19-14-7-20-17(22-13-6-21-26(9-13)3-4-27)23-15(14)25-8-12-5-18(12,10-25)24-16(28)11-1-2-11/h6-7,9,11-12,27H,1-5,8,10H2,(H,24,28)(H,20,22,23)/t12-,18-/m1/s1
定義日:2020-01-30
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropanecarboxamide
R4V
R4V
表記:(1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
組成式:C18 H20 F3 N7 O
SMILES:n1c(ncc(c1N3CC2C(C2C)(C3)NC(C4C(F)(C4)F)=O)F)Nc5cn(nc5)C
InChi:InChI=1S/C18H20F3N7O/c1-9-12-7-28(8-17(9,12)26-15(29)11-3-18(11,20)21)14-13(19)5-22-16(25-14)24-10-4-23-27(2)6-10/h4-6,9,11-12H,3,7-8H2,1-2H3,(H,26,29)(H,22,24,25)/t9-,11+,12+,17+/m1/s1
定義日:2020-01-30
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(1S)-2,2-difluoro-N-[(1S,5R,6R)-3-{5-fluoro-2-[(1-methyl-1H-pyrazol-4-yl)amino]pyrimidin-4-yl}-6-methyl-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
R4Y
R4Y
表記:(1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
組成式:C19 H21 F N8 O2
SMILES:N(c1cnn(CCO)c1)c2nc(c(cn2)F)N4CC3C(C3)(C4)NC(C5C(C#N)C5)=O
InChi:InChI=1S/C19H21FN8O2/c20-15-7-22-18(24-13-6-23-28(9-13)1-2-29)25-16(15)27-8-12-4-19(12,10-27)26-17(30)14-3-11(14)5-21/h6-7,9,11-12,14,29H,1-4,8,10H2,(H,26,30)(H,22,24,25)/t11-,12-,14+,19-/m1/s1
定義日:2020-01-30
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(1S,2S)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
R5D
R5D
表記:(1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
組成式:C19 H21 F N8 O2
SMILES:N(c1cnn(CCO)c1)c2nc(c(cn2)F)N4CC3C(C3)(C4)NC(C5C(C5)C#N)=O
InChi:InChI=1S/C19H21FN8O2/c20-15-7-22-18(24-13-6-23-28(9-13)1-2-29)25-16(15)27-8-12-4-19(12,10-27)26-17(30)14-3-11(14)5-21/h6-7,9,11-12,14,29H,1-4,8,10H2,(H,26,30)(H,22,24,25)/t11-,12+,14+,19+/m0/s1
定義日:2020-01-30
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(1R,2R)-2-cyano-N-[(1S,5R)-3-(5-fluoro-2-{[1-(2-hydroxyethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)-3-azabicyclo[3.1.0]hexan-1-yl]cyclopropane-1-carboxamide
R67
R67
表記:3-(methylsulfonyl)-2-oxopropanoic acid
組成式:C4 H6 O5 S
SMILES:CS(CC(=O)C(O)=O)(=O)=O
InChi:InChI=1S/C4H6O5S/c1-10(8,9)2-3(5)4(6)7/h2H2,1H3,(H,6,7)
定義日:2020-01-31
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:3-(methylsulfonyl)-2-oxopropanoic acid
R7V
R7V
表記:(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
組成式:C30 H29 F8 N O5 S
SMILES:c1c(cc2c(c1)C3(C(CC2)N(CC3)C(=O)C4CCC(CC4C)C(O)=O)S(c5ccc(cc5)F)(=O)=O)C(C(F)(F)F)(F)C(F)(F)F
InChi:InChI=1S/C30H29F8NO5S/c1-16-14-18(26(41)42)2-9-22(16)25(40)39-13-12-27(45(43,44)21-7-5-20(31)6-8-21)23-10-4-19(15-17(23)3-11-24(27)39)28(32,29(33,34)35)30(36,37)38/h4-8,10,15-16,18,22,24H,2-3,9,11-14H2,1H3,(H,41,42)/t16-,18+,22+,24+,27+/m0/s1
定義日:2020-02-06
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(1R,3S,4R)-4-[(3aR,9bR)-9b-[(4-fluorophenyl)sulfonyl]-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3a,4,5,9b-hexahydro-3H-benzo[e]indole-3-carbonyl]-3-methylcyclohexane-1-carboxylic acid
96H
96H
表記:Triisopropanolamine
組成式:C9 H21 N O3
SMILES:C[CH](O)CN(C[CH](C)O)C[CH](C)O
InChi:InChI=1S/C9H21NO3/c1-7(11)4-10(5-8(2)12)6-9(3)13/h7-9,11-13H,4-6H2,1-3H3/t7-,8-,9-/m0/s1
定義日:2017-04-25
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(2~{S})-1-[bis[(2~{S})-2-oxidanylpropyl]amino]propan-2-ol
RGD
RGD
表記:cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone
組成式:C14 H23 N O4
SMILES:C2(OC1(CCO)CN(CC1C2)C(C3CCC3)=O)CO
InChi:InChI=1S/C14H23NO4/c16-5-4-14-9-15(13(18)10-2-1-3-10)7-11(14)6-12(8-17)19-14/h10-12,16-17H,1-9H2/t11-,12-,14+/m0/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone
RGM
RGM
表記:(3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one
組成式:C14 H17 N3 O2
SMILES:C1(=O)C43C(CC(c2cncc12)N3C)CN(C(C)=O)C4
InChi:InChI=1S/C14H17N3O2/c1-8(18)17-6-9-3-12-10-4-15-5-11(10)13(19)14(9,7-17)16(12)2/h4-5,9,12,15H,3,6-7H2,1-2H3/t9-,12-,14+/m0/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one
RGV
RGV
表記:(3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde
組成式:C13 H15 N3 O2
SMILES:C1(=O)c4cncc4C3CC2C1(CN(C=O)C2)N3C
InChi:InChI=1S/C13H15N3O2/c1-15-11-2-8-5-16(7-17)6-13(8,15)12(18)10-4-14-3-9(10)11/h3-4,7-8,11,14H,2,5-6H2,1H3/t8-,11-,13+/m0/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde
RGY
RGY
表記:(4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
組成式:C12 H17 N3 O2
SMILES:N1(C3c4onc(C)c4C(C12C(CNC2)C3)O)C
InChi:InChI=1S/C12H17N3O2/c1-6-9-10(17-14-6)8-3-7-4-13-5-12(7,11(9)16)15(8)2/h7-8,11,13,16H,3-5H2,1-2H3/t7-,8-,11+,12+/m0/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol
RH4
RH4
表記:methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate
組成式:C13 H13 N O3
SMILES:c2(CC(c1ccncc1)C(OC)=O)ccco2
InChi:InChI=1S/C13H13NO3/c1-16-13(15)12(9-11-3-2-8-17-11)10-4-6-14-7-5-10/h2-8,12H,9H2,1H3/t12-/m1/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate
RH7
RH7
表記:methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate
組成式:C13 H15 N3 O3
SMILES:c41nccnc1C3CC2CN(C(OC)=O)CC2(O3)C4
InChi:InChI=1S/C13H15N3O3/c1-18-12(17)16-6-8-4-10-11-9(14-2-3-15-11)5-13(8,7-16)19-10/h2-3,8,10H,4-7H2,1H3/t8-,10-,13+/m0/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate
RHG
RHG
表記:(3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine
組成式:C10 H15 F3 N2 O3 S
SMILES:C2NCC13C(CN(C1)S(C(F)(F)F)(=O)=O)CC(C2)O3
InChi:InChI=1S/C10H15F3N2O3S/c11-10(12,13)19(16,17)15-4-7-3-8-1-2-14-5-9(7,6-15)18-8/h7-8,14H,1-6H2/t7-,8+,9+/m0/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine
RHV
RHV
表記:ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate
組成式:C13 H18 N2 O3
SMILES:C(C(NCC(OCC)=O)=O)(C)c1cc(C)ccn1
InChi:InChI=1S/C13H18N2O3/c1-4-18-12(16)8-15-13(17)10(3)11-7-9(2)5-6-14-11/h5-7,10H,4,8H2,1-3H3,(H,15,17)/t10-/m1/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate
RHY
RHY
表記:1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one
組成式:C12 H15 N3 O2
SMILES:C321Cc4c(C(CC1CN(C2)C(C)=O)O3)ncn4
InChi:InChI=1S/C12H15N3O2/c1-7(16)15-4-8-2-10-11-9(13-6-14-11)3-12(8,5-15)17-10/h6,8,10H,2-5H2,1H3,(H,13,14)/t8-,10-,12+/m0/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one
RJ4
RJ4
表記:(4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde
組成式:C11 H13 N3 O2
SMILES:O=CN1C[CH]2C[CH]3O[C]2(C1)Cc4[nH]cnc34
InChi:InChI=1S/C11H13N3O2/c15-6-14-3-7-1-9-10-8(12-5-13-10)2-11(7,4-14)16-9/h5-7,9H,1-4H2,(H,12,13)/t7-,9-,11+/m1/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
RJ7
RJ7
表記:ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate
組成式:C10 H12 F N O3
SMILES:c1(cnccc1)C(C(C(OCC)=O)F)O
InChi:InChI=1S/C10H12FNO3/c1-2-15-10(14)8(11)9(13)7-4-3-5-12-6-7/h3-6,8-9,13H,2H2,1H3/t8-,9-/m0/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate
RJD
RJD
表記:(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
組成式:C15 H26 N4 O2
SMILES:C1(CC1)NC(C3(CN(C(NCC2CC2)=O)C(C)CN3)C)=O
InChi:InChI=1S/C15H26N4O2/c1-10-7-17-15(2,13(20)18-12-5-6-12)9-19(10)14(21)16-8-11-3-4-11/h10-12,17H,3-9H2,1-2H3,(H,16,21)(H,18,20)/t10-,15-/m0/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide
RJG
RJG
表記:(3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one
組成式:C16 H18 N2 O
SMILES:N13C5CC2CNCC12C(CC5c4c(C3)cccc4)=O
InChi:InChI=1S/C16H18N2O/c19-15-6-13-12-4-2-1-3-10(12)8-18-14(13)5-11-7-17-9-16(11,15)18/h1-4,11,13-14,17H,5-9H2/t11-,13-,14-,16+/m1/s1
定義日:2020-02-12
最終更新日:2020-04-03
公開日:2020-04-08
識別子（ID）:(3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one

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件を2024-07-17に公開中

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