fenoprofen   

GtoPdb Ligand ID: 4820

Synonyms: fenoprofen calcium | Nalfon®
fenoprofen is an approved drug (FDA (1976))
Compound class: Synthetic organic
Comment: Fenoprofen isa nonsteroidal anti-inflammatory drug, which is pharmacologically similar to aspirin, with similar anti-inflammatory analgesic and antipyretic actions.
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2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 46.53
Molecular weight 242.09
XLogP 3.14
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES OC(=O)C(c1cccc(c1)Oc1ccccc1)C
Isomeric SMILES OC(=O)C(c1cccc(c1)Oc1ccccc1)C
InChI InChI=1S/C15H14O3/c1-11(15(16)17)12-6-5-9-14(10-12)18-13-7-3-2-4-8-13/h2-11H,1H3,(H,16,17)
InChI Key RDJGLLICXDHJDY-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Ligand families/groups Non-steroidal anti-inflammatory ligands
Approved drug? Yes (FDA (1976))
IUPAC Name
2-(3-phenoxyphenyl)propanoic acid
International Nonproprietary Names
INN number INN
3104 fenoprofen
Synonyms
fenoprofen calcium | Nalfon®
Database Links
CAS Registry No. 29679-58-1 (source: Scifinder)
ChEMBL Ligand CHEMBL1297
DrugBank Ligand DB00573
DrugCentral Ligand 1154
GtoPdb PubChem SID 178101522
PubChem CID 3342
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Wikipedia Fenoprofen