compound 42 [PMID: 22420767]

Ligand id: 5794

Name: compound 42 [PMID: 22420767]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 68.52
Molecular weight 446.13
XLogP 4.64
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(3,4-dichlorocyclohexyl)-7-methyl-N-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
Database Links
PubChem CID 73755156
Search Google for chemical match using the InChIKey BHDJYYFELGTSTL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BHDJYYFELGTSTL
Search UniChem for chemical match using the InChIKey BHDJYYFELGTSTL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BHDJYYFELGTSTL