Name: CI-1029
Rating: 5 (10 reviews)

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HIT ID:HIT212682453
Cas No:207736-05-8
常用名:CI-1029
别名:UNII-VDH375TRL9, PD178390, PD 178390, CI1029
别名:UNII-VDH375TRL9, PD178390, PD 178390, CI1029
IUPAC:(6S)-6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one
IUPAC:(6S)-6-[2-(4-aminophenyl)ethyl]-3-{[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl}-4-hydroxy-6-(propan-2-yl)-5,6-dihydro-2H-pyran-2-one
InChI key:ZUBPKHVCBGWWGO-NDEPHWFRSA-N

分子式:C28H37NO4S
分子量:483.67
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:5.2429333
SMILES:CC(C)[C@]1(CCc2ccc(N)cc2)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |t:16|
SMILES:CC(C)[C@]1(CCc2ccc(N)cc2)CC(O)=C(Sc2cc(C)c(CO)cc2C(C)(C)C)C(=O)O1 |t:16|

CI-1029 is an HIV protease inhibitor that is effective against mutant HIV proteases and drug-resistant HIV strains. It has excellent protease activity, good antiviral efficacy in cell tests, and has good bioavailability in a variety of animal species.

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