Name: HIV-IN-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT220912486
Cas No:2756838-41-0
常用名:HIV-IN-2
IUPAC:N-[(1S)-1-[6-(4-chloro-3-methanesulfonamido-1-methyl-1H-indazol-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamide
IUPAC:N-[(1S)-1-[6-(4-chloro-3-methanesulfonamido-1-methyl-1H-indazol-7-yl)-2-methyl-1H-imidazo[4,5-b]pyridin-5-yl]-2-(3,5-difluorophenyl)ethyl]-2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamide
InChI key:InChIKey=HIBOGALFEZNPTE-VWPQPMDRSA-N

分子式:C34H27ClF7N9O3S
分子量:810.15
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12C[C@@]1([H])C(F)(F)c1c2c(nn1CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1nc2nc(C)[nH]c2cc1-c1ccc(Cl)c2c(NS(C)(=O)=O)nn(C)c12)C(F)(F)F
SMILES:[H][C@]12C[C@@]1([H])C(F)(F)c1c2c(nn1CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1nc2nc(C)[nH]c2cc1-c1ccc(Cl)c2c(NS(C)(=O)=O)nn(C)c12)C(F)(F)F

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