BMS641

Ligand id: 2651

Name: BMS641

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.3
Molecular weight 414.14
XLogP 12.14
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-chloro-4-[(E)-2-(5,5-dimethyl-8-phenyl-6H-naphthalen-2-yl)ethenyl]benzoic acid
Synonyms
BMS 641 | BMS-641
Database Links
CAS Registry No. 369364-50-1 (source: Scifinder)
PubChem CID 22737393
RCSB PDB Ligand JYI
Search Google for chemical match using the InChIKey FRTYVAKGTFXRNY-CSKARUKUSA-N
Search Google for chemicals with the same backbone FRTYVAKGTFXRNY
Search UniChem for chemical match using the InChIKey FRTYVAKGTFXRNY-CSKARUKUSA-N
Search UniChem for chemicals with the same backbone FRTYVAKGTFXRNY