Darapladib
N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
Molecular Identity
Darapladib
N-[2-(diethylamino)ethyl]-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
PubChem CID: 9939609
2D Structure
Properties
C36H38F4N4O2S
Molecular Formula
666.80
Molecular Weight
g/mol
666.2652
Exact Mass
Da
7
XLogP
Above Lipinski threshold
81.5
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
8
H-Bond Acceptors
1120
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Darapladib356057-34-6SB-480848SB 480848UI1U1MYH09DTXSID70189073N-(2-(Diethylamino)ethyl)-2-(2-((4-fluorobenzyl)sulfanyl)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopentapyrimidin-1-yl)-N-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)acetamidedarapladibumN-(2-diethylaminoethyl)-2-(2-((4-fluorophenyl)methylsulfanyl)-4-oxo-6,7-dihydro-5H-cyclopenta(e)pyrimidin-1-yl)-N-((4-(4-(trifluoromethyl)phenyl)phenyl)methyl)acetamideN-(2-diethylaminoethyl)-2-[2-[(4-fluorophenyl)methylsulfanyl]-4-oxo-6,7-dihydro-5H-cyclopenta[e]pyrimidin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamideRefChem:585191DTXCID00111564GSK480848N-(2-(diethylamino)ethyl)-2-(2-(((4-fluorophenyl)methyl)sulfanyl)-4-oxo-1H,4H,5H,6H,7H-cyclopenta(d)pyrimidin-1-yl)-N-((4'-(trifluoromethyl)-(1,1'-biphenyl)-4-yl)methyl)acetamideDarapladib (SB-480848)
Data from PubChem (NCBI)
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