Name: HIV-1 inhibitor-52
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT218964025
Cas No:1818868-23-3
常用名:HIV-1 inhibitor-52
IUPAC:(1S)-4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-3a-({2-[(1s,4s)-1-hydroxy-4-methanesulfonylcyclohexyl]ethyl}amino)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,11H,11aH,11bH,12H,13H,13aH,13bH-cyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid
IUPAC:(1S)-4-[(1R,3aR,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(prop-1-en-2-yl)-3a-({2-[(1s,4s)-1-hydroxy-4-methanesulfonylcyclohexyl]ethyl}amino)-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,11H,11aH,11bH,12H,13H,13aH,13bH-cyclopenta[a]chrysen-9-yl]-1-(fluoromethyl)cyclohex-3-ene-1-carboxylic acid
InChI key:MOKRSVAREFEYFD-LWRNTVHASA-N

分子式:C46H72FNO5S
分子量:770.14
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]12[C@@H](CC[C@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(C4=CC[C@@](CF)(CC4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)NCC[C@@]1(O)CC[C@@H](CC1)S(C)(=O)=O)C(C)=C
SMILES:[H][C@]12[C@@H](CC[C@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC=C(C4=CC[C@@](CF)(CC4)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)NCC[C@@]1(O)CC[C@@H](CC1)S(C)(=O)=O)C(C)=C

HIV-1inhibitor-52 是高效广谱HIV-1活性抑制剂，具备对 WT HIV-1、HIV-1 V370A、HIV-1 ΔV370、HIV-1 V362I/V370A、HIV-1 T332S/V362I/prR41G、HIV-1 A326T/V362I/V370A、和HIV-1 R361K/V362I/L363M 等变异株的强效抑制作用，其EC50值范围为 1.6 nM至6.4 nM。

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