compound 14 [PMID: 9871507]

Ligand id: 3106

Name: compound 14 [PMID: 9871507]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 20
Topological polar surface area 170.98
Molecular weight 750.32
XLogP 7.49
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1S,2S,3S,5R)-1-(carboxymethyl)-3,5-bis({[(4-phenoxyphenyl)methyl](propyl)carbamoyl})cyclopentane-1,2-dicarboxylic acid
Database Links
ChEMBL Ligand CHEMBL170032
PubChem CID 44382842
Search Google for chemical match using the InChIKey SZUVGFMDDVSKSI-WIFOCOSTSA-N
Search Google for chemicals with the same backbone SZUVGFMDDVSKSI
Search UniChem for chemical match using the InChIKey SZUVGFMDDVSKSI-WIFOCOSTSA-N
Search UniChem for chemicals with the same backbone SZUVGFMDDVSKSI