Name: HBV/HDV-IN-3
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT218849621
Cas No:2883679-03-4
常用名:HBV/HDV-IN-3
IUPAC:4-[(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-{[(2S)-but-3-en-2-yl]amino}-6-methyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
IUPAC:4-[(6R)-7-[4-bromo-3-(trifluoromethyl)benzoyl]-2-{[(2S)-but-3-en-2-yl]amino}-6-methyl-4-oxo-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-3-yl]-N-methylbenzamide
InChI key:PRQDPKBIQDENOT-JKSUJKDBSA-N

分子式:C28H27BrF3N5O3
分子量:618.455
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CNC(=O)c1ccc(cc1)-n1c(N[C@@H](C)C=C)nc2CN([C@H](C)Cc2c1=O)C(=O)c1ccc(Br)c(c1)C(F)(F)F
SMILES:CNC(=O)c1ccc(cc1)-n1c(N[C@@H](C)C=C)nc2CN([C@H](C)Cc2c1=O)C(=O)c1ccc(Br)c(c1)C(F)(F)F

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