BMS493

Ligand id: 2641

Name: BMS493

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 37.3
Molecular weight 404.18
XLogP 9.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
4-[(E)-2-[5,5-dimethyl-8-(2-phenylethynyl)-5,6-dihydronaphthalen-2-yl]ethenyl]benzoic acid
Synonyms
BMS 493 | BMS-493
Database Links
CAS Registry No. 215030-90-3 (source: Scifinder)
ChEMBL Ligand CHEMBL472172
GtoPdb PubChem SID 135650003
PubChem CID 9909190
RCSB PDB Ligand EQO
Search Google for chemical match using the InChIKey YCADIXLLWMXYKW-CMDGGOBGSA-N
Search Google for chemicals with the same backbone YCADIXLLWMXYKW
Search UniChem for chemical match using the InChIKey YCADIXLLWMXYKW-CMDGGOBGSA-N
Search UniChem for chemicals with the same backbone YCADIXLLWMXYKW

Product suppliers

Tocris
BMS 493
Cat. No. 3509