biphenylindanone A

Ligand id: 3954

Name: biphenylindanone A

Abbreviated name: BINA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 63.6
Molecular weight 454.21
XLogP 8.87
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-[(2-cyclopentyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxymethyl]phenyl]benzoic acid
Synonyms
LS-193,571
Database Links
CAS Registry No. 866823-73-6 (source: Scifinder)
ChEMBL Ligand CHEMBL593013
PubChem CID 9868580
Search Google for chemical match using the InChIKey KMKBEESNZAPKMP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KMKBEESNZAPKMP
Search UniChem for chemical match using the InChIKey KMKBEESNZAPKMP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KMKBEESNZAPKMP
Wikipedia Biphenylindanone_A