Name: (2E)-2-[(E)-(1R)-5-[(7-{[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxopyridin-3-yl)phenyl]methyl}-4,7-diazaspiro[2.5]octan-4-yl)methyl]-1-isopropyl-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5-fluoro-4,4-dimethylpent-2-enenitrile
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HIT ID:HIT221065018
Cas No:3102636-19-8
常用名:(2E)-2-[(E)-(1R)-5-[(7-{[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxopyridin-3-yl)phenyl]methyl}-4,7-diazaspiro[2.5]octan-4-yl)methyl]-1-isopropyl-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5-fluoro-4,4-dimethylpent-2-enenitrile
常用名:(2E)-2-[(E)-(1R)-5-[(7-{[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxopyridin-3-yl)phenyl]methyl}-4,7-diazaspiro[2.5]octan-4-yl)methyl]-1-isopropyl-7-methoxy-3,4-dihydro-1H-isoquinoline-2-carbonyl]-5-fluoro-4,4-dimethylpent-2-enenitrile
IUPAC:(2E)-2-[(E)-(1R)-5-[(7-{[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]methyl}-4,7-diazaspiro[2.5]octan-4-yl)methyl]-7-methoxy-1-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-5-fluoro-4,4-dimethylpent-2-enenitrile
IUPAC:(2E)-2-[(E)-(1R)-5-[(7-{[2,6-dimethoxy-4-(1,4,5-trimethyl-6-oxo-1,6-dihydropyridin-3-yl)phenyl]methyl}-4,7-diazaspiro[2.5]octan-4-yl)methyl]-7-methoxy-1-(propan-2-yl)-1,2,3,4-tetrahydroisoquinoline-2-carbonyl]-5-fluoro-4,4-dimethylpent-2-enenitrile
InChI key:InChIKey=CQFKKLHTDCRYTN-IHRRMNPYSA-N

分子式:C45H58FN5O5
分子量:767.987
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:COc1cc(CN2CCN(Cc3c(OC)cc(cc3OC)-c3cn(C)c(=O)c(C)c3C)CC22CC2)c2CCN([C@H](C(C)C)c2c1)C(=O)C(=C\C(C)(C)CF)\C#N
SMILES:COc1cc(CN2CCN(Cc3c(OC)cc(cc3OC)-c3cn(C)c(=O)c(C)c3C)CC22CC2)c2CCN([C@H](C(C)C)c2c1)C(=O)C(=C\C(C)(C)CF)\C#N

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