BMS309403

Ligand id: 6735

Name: BMS309403

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 64.35
Molecular weight 474.19
XLogP 10.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[3-[2-[5-ethyl-3,4-di(phenyl)pyrazol-1-yl]phenyl]phenoxy]acetic acid
Synonyms
BMS 309403 | BMS-309403
Database Links
CAS Registry No. 300657-03-8 (source: Scifinder)
ChEMBL Ligand CHEMBL247920
PubChem CID 16122583
RCSB PDB Ligand T4B
Search Google for chemical match using the InChIKey SJRVJRYZAQYCEE-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SJRVJRYZAQYCEE
Search UniChem for chemical match using the InChIKey SJRVJRYZAQYCEE-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SJRVJRYZAQYCEE