VX-222
5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
Molecular Identity
VX-222
5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acid
PubChem CID: 24798764
5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-[(4-methylcyclohexyl)-oxomethyl]amino]-2-thiophenecarboxylic acid is a thiophenecarboxylic acid.
2D Structure
Properties
C25H35NO4S
Molecular Formula
445.60
Molecular Weight
g/mol
445.2287
Exact Mass
Da
5.9
XLogP
Above Lipinski threshold
106
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
717
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
VX-222RefChem:934153Lomibuvir1026785-59-01026785-55-6VCH-222VX-222 (VCH-222, Lomibuvir)cis-Lomibuvir5-(3,3-dimethylbut-1-ynyl)-3-[(4-hydroxycyclohexyl)-(4-methylcyclohexanecarbonyl)amino]thiophene-2-carboxylic acidLomibuvir (VX-222)37L2LF4A2D5-(3,3-diMethylbut-1-yn-1-yl)-3-(N-(4-hydroxycyclohexyl)-4-MethylcyclohexanecarboxaMido)thiophene-2-carboxylic acid1026785-55-6 (or 1026785-59-0)2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-;2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[(trans-4-hydroxycyclohexyl)[(trans-4-methylcyclohexyl)carbonyl]amino]-5-(3,3-DIMETHYLBUT-1-YN-1-YL)-3-((1R,4R)-N-((1R,4R)-4-HYDROXYCYCLOHEXYL)-4-METHYLCYCLOHEXANE-1-CARBOXAMIDO)THIOPHENE-2-CARBOXYLIC ACID
Data from PubChem (NCBI)
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