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Chemical structure of CGS 15435

GC31981

CGS 15435

Also known as 6-(5-chloro-1-methyl-2-pyridin-3-ylindol-3-yl)hexanoic acid

CGS 15435, a potent thromboxane (TxA2) synthetase inhibitor with an IC50 of 1 nM, has a selectivity for Tx synthetase 100000-fold greater than that for cyclooxygenase, PGI2 synthetase and lipoxygenase enzymes

ChemicalCAS95853-92-2MW356.85FormulaC20H21ClN2O2
CAS number
95853-92-2
Molecular weight
356.85
Formula
C20H21ClN2O2
Solubility
Soluble in DMSO
InChIKey
BYQANTGKEVLUKZ-UHFFFAOYSA-N
Catalogue number
GC31981
Brand
GLPBIO
Computed properties PubChem CID 129519 · XLogP 4.4 · TPSA 55.1 Ų · H-bond donors 1
XLogP
4.4
TPSA
55.1 Ų
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
25

SMILES CN1C2=C(C=C(C=C2)Cl)C(=C1C3=CN=CC=C3)CCCCCC(=O)O

Computed descriptors from PubChem (CID 129519), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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