Name: Lenacapavir pacfosacil
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT220772994
Cas No:2937414-47-4
常用名:Lenacapavir pacfosacil
IUPAC:2-(2-{1-[(4-chloro-7-{2-[(1S)-1-{2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamido}-2-(3,5-difluorophenyl)ethyl]-6-(3-methanesulfonyl-3-methylbut-1-yn-1-yl)pyridin-3-yl}-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl)(methanesulfonyl)carbamoyl]-2-methylpropan-2-yl}-5-methyl-3-(phosphonooxy)phenyl)acetic acid
IUPAC:2-(2-{1-[(4-chloro-7-{2-[(1S)-1-{2-[(2S,4R)-5,5-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),8-dien-7-yl]acetamido}-2-(3,5-difluorophenyl)ethyl]-6-(3-methanesulfonyl-3-methylbut-1-yn-1-yl)pyridin-3-yl}-1-(2,2,2-trifluoroethyl)-1H-indazol-3-yl)(methanesulfonyl)carbamoyl]-2-methylpropan-2-yl}-5-methyl-3-(phosphonooxy)phenyl)acetic acid
InChI key:InChIKey=XXPJRIWJFUQOCT-LFBNJJMOSA-N

分子式:C53H49ClF10N7O12PS2
分子量:1296.54
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)c1nc(ccc1-c1ccc(Cl)c2c(nn(CC(F)(F)F)c12)N(C(=O)CC(C)(C)c1c(CC(O)=O)cc(C)cc1OP(O)(O)=O)S(C)(=O)=O)C#CC(C)(C)S(C)(=O)=O)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)c1nc(ccc1-c1ccc(Cl)c2c(nn(CC(F)(F)F)c12)N(C(=O)CC(C)(C)c1c(CC(O)=O)cc(C)cc1OP(O)(O)=O)S(C)(=O)=O)C#CC(C)(C)S(C)(=O)=O)C(F)(F)F

Lenacapavir pacfosacil (Example 44) 是一种病毒衣壳和核衣壳 (viral capsid and nucleocapsid) 的抑制剂，具备抗病毒特性。Lenacapavir pacfosacil 可用于逆转录病毒科感染的研究，包括HIV感染。

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