GS-9669
5-(3,3-dimethylbut-1-ynyl)-3-[[4-hydroxy-4-[[(3S)-oxolan-3-yl]oxymethyl]cyclohexyl]-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]amino]thiophene-2-carboxylic acid
Molecular Identity
GS-9669
5-(3,3-dimethylbut-1-ynyl)-3-[[4-hydroxy-4-[[(3S)-oxolan-3-yl]oxymethyl]cyclohexyl]-[(1R)-4-methylcyclohex-3-ene-1-carbonyl]amino]thiophene-2-carboxylic acid
PubChem CID: 53259022
2D Structure
Properties
C30H41NO6S
Molecular Formula
543.70
Molecular Weight
g/mol
543.2655
Exact Mass
Da
4.7
XLogP
Drug-like (Lipinski: < 5)
125
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
966
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
GS-9669RefChem:144494Radalbuvir1314795-11-3Radalbuvir [INN]UNII-273K4V0SPC273K4V0SPC2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-((cis-4-hydroxy-4-((((3S)-tetrahydro-3-furanyl)oxy)methyl)cyclohexyl)(((1R)-4-methyl-3-cyclohexen-1-yl)carbonyl)amino)-2-Thiophenecarboxylic acid, 5-(3,3-dimethyl-1-butyn-1-yl)-3-[[cis-4-hydroxy-4-[[[(3S)-tetrahydro-3-furanyl]oxy]methyl]cyclohexyl][[(1R)-4-methyl-3-cyclohexen-1-yl]carbonyl]amino]-RADALBUVIR [WHO-DD]orb1695526CHEMBL3121539SCHEMBL12444696SCHEMBL15252929SCHEMBL15252930
Data from PubChem (NCBI)
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Drug Network
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