rofecoxib

Ligand Id: 2893
Ligand name rofecoxib

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 68.82
Molecular weight 314.06
XLogP 4.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (1999))
Withdrawn drug? Yes
IUPAC Name
4-(4-methylsulfonylphenyl)-3-phenyl-5H-furan-2-one
International Nonproprietary Names
INN number INN
7768 rofecoxib
Synonyms
Ceoxx®
MK 966
Vioxx®
Database Links
CAS Registry No. 162011-90-7 (source: Scifinder)
ChEBI CHEBI:8887
ChEMBL Ligand CHEMBL122
DrugBank Ligand DB00533
PubChem CID 5090
Search Google for chemical match using the InChIKey RZJQGNCSTQAWON-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RZJQGNCSTQAWON
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