gemfibrozil   

GtoPdb Ligand ID: 3439

Synonyms: CI-719 | Gen-Fibro® | Jezil®
gemfibrozil is an approved drug (FDA (1993))
Compound class: Synthetic organic
Comment: Gemfibrozil is a fibric acid antilipemic agent, pharmacologically similar to clofibrate.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 46.53
Molecular weight 250.16
XLogP 3.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Cc1ccc(c(c1)OCCCC(C(=O)O)(C)C)C
Isomeric SMILES Cc1ccc(c(c1)OCCCC(C(=O)O)(C)C)C
InChI InChI=1S/C15H22O3/c1-11-6-7-12(2)13(10-11)18-9-5-8-15(3,4)14(16)17/h6-7,10H,5,8-9H2,1-4H3,(H,16,17)
InChI Key HEMJJKBWTPKOJG-UHFFFAOYSA-N
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Molecular structure representations generated using Open Babel