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Chemical structure of ONO-RS-082

GC14521

ONO-RS-082

Also known as 4-chloro-2-[[(E)-3-(4-pentylphenyl)prop-2-enoyl]amino]benzoic acid

reversible inhibitor of Ca2+-independent phospholipase A2

ChemicalCAS99754-06-0MW371.9FormulaC21H22ClNO3
CAS number
99754-06-0
Molecular weight
371.9
Formula
C21H22ClNO3
Solubility
≤33mg/ml in DMSO;33mg/ml in dimethyl formamide
InChIKey
MDVFITMPFHDRBZ-JLHYYAGUSA-N
Catalogue number
GC14521
Brand
GLPBIO
Computed properties PubChem CID 6438389 · XLogP 6.3 · TPSA 66.4 Ų · H-bond donors 2
XLogP
6.3
TPSA
66.4 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
8
Heavy atoms
26

SMILES CCCCCC1=CC=C(C=C1)/C=C/C(=O)NC2=C(C=CC(=C2)Cl)C(=O)O

Computed descriptors from PubChem (CID 6438389), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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