CP105696

Ligand id: 3368

Name: CP105696

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 66.76
Molecular weight 428.2
XLogP 9.25
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-[(3S,4R)-4-hydroxy-3-[(4-phenylphenyl)methyl]chroman-7-yl]cyclopentane-1-carboxylic acid
Synonyms
CP 105696 | CP-105,696 | CP-105696
Database Links
CAS Registry No. 158081-99-3 (source: Scifinder)
ChEMBL Ligand CHEMBL51770
PubChem CID 9867257
Search Google for chemical match using the InChIKey KMNLXCBYBKHKSK-BKMJKUGQSA-N
Search Google for chemicals with the same backbone KMNLXCBYBKHKSK
Search UniChem for chemical match using the InChIKey KMNLXCBYBKHKSK-BKMJKUGQSA-N
Search UniChem for chemicals with the same backbone KMNLXCBYBKHKSK