Rilapladib
2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
Molecular Identity
Rilapladib
2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
PubChem CID: 9918381
2D Structure
Properties
C40H38F5N3O3S
Molecular Formula
735.80
Molecular Weight
g/mol
735.2554
Exact Mass
Da
8.1
XLogP
Above Lipinski threshold
78.4
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
11
H-Bond Acceptors
1200
Complexity
SMILES
Canonical SMILES
SMILES: COCCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)FIsomeric SMILES
SMILES: COCCN1CCC(CC1)N(CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F)C(=O)CN4C5=CC=CC=C5C(=O)C=C4SCC6=C(C(=CC=C6)F)FSynonyms(20)
Rilapladib412950-08-4SB-659032SB 659032O14CWE893Z2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamideDTXSID501942812-(2-((2,3-Difluorobenzyl)sulfanyl)-4-oxoquinolin-1(4H)-yl)-N-(1-(2-methoxyethyl)piperidin-4-yl)-N-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)acetamiderilapladibum2-(2-((2,3-difluorophenyl)methylsulfanyl)-4-oxoquinolin-1-yl)-N-(1-(2-methoxyethyl)piperidin-4-yl)-N-((4-(4-(trifluoromethyl)phenyl)phenyl)methyl)acetamideRefChem:179454DTXCID601167722-(2-(((2,3-difluorophenyl)methyl)sulfanyl)-4-oxo-1,4-dihydroquinolin-1-yl)-N-(1-(2-methoxyethyl)piperidin-4-yl)-N-((4'-(trifluoromethyl)-(1,1'-biphenyl)-4-yl)methyl)acetamideRilapladib (USAN)RILAPLADIB [USAN]
Data from PubChem (NCBI)
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