DCPIB

Ligand id: 4174

Name: DCPIB

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 63.6
Molecular weight 426.14
XLogP 5.69
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid
Synonyms
4-(2-butyl-6,7-dichlor-2-cyclopentyl-indan-1-on-5-yl) oxybutyric acid
Database Links
CAS Registry No. 82749-70-0 (source: Scifinder)
ChEMBL Ligand CHEMBL152557
PubChem CID 10071166
Search Google for chemical match using the InChIKey KHKGTPJPBOQECW-UHFFFAOYSA-N
Search Google for chemicals with the same backbone KHKGTPJPBOQECW
Search UniChem for chemical match using the InChIKey KHKGTPJPBOQECW-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone KHKGTPJPBOQECW