diflunisal   

GtoPdb Ligand ID: 7162

Synonyms: Dolobid®
diflunisal is an approved drug (FDA (1982))
Compound class: Synthetic organic
Comment: Diflunisal is a nonsteroidal anti-inflammatory drug (NSAID)
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 57.53
Molecular weight 250.04
XLogP 3.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O
Isomeric SMILES Fc1ccc(c(c1)F)c1ccc(c(c1)C(=O)O)O
InChI InChI=1S/C13H8F2O3/c14-8-2-3-9(11(15)6-8)7-1-4-12(16)10(5-7)13(17)18/h1-6,16H,(H,17,18)
InChI Key HUPFGZXOMWLGNK-UHFFFAOYSA-N
Immunopharmacology Disease
Disease X-Refs Comment References
Rheumatoid arthritis Disease Ontology: DOID:7148
OMIM: 180300
NSAID used to treat the pain and inflammation of RA.