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Chemical structure of Rilapladib

GC30834

Rilapladib

Also listed as Rilapladib (SB 659032)

Rilapladib (SB 659032) (SB 659032) is a selective Lp-PLA2 (lipoprotein-associated phospholipase A2) inhibitor with an IC50 of 230 pM

ChemicalCAS412950-08-4MW735.81FormulaC40H38F5N3O3S
CAS number
412950-08-4
Molecular weight
735.81
Formula
C40H38F5N3O3S
Solubility
DMSO ： 86·67 mg/mL (117·79 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
NNBGCSGCRSCFEA-UHFFFAOYSA-N
Catalogue number
GC30834
Brand
GLPBIO
Computed properties PubChem CID 9918381 · XLogP 8.1 · TPSA 78.4 Ų · H-bond donors 0
XLogP
8.1
TPSA
78.4 Ų
H-bond donors
0
H-bond acceptors
11
Rotatable bonds
12
Heavy atoms
52

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)F

Computed descriptors from PubChem (CID 9918381), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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