compound 5b [PMID: 24900464]

Ligand id: 8171

Name: compound 5b [PMID: 24900464]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 110.9
Molecular weight 371.15
XLogP 1.49
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
ChEMBL Ligand CHEMBL2062581
PubChem CID 70694814
Search Google for chemical match using the InChIKey UZZGMJZTCZOSGC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UZZGMJZTCZOSGC
Search UniChem for chemical match using the InChIKey UZZGMJZTCZOSGC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UZZGMJZTCZOSGC
Comments
Compound 5b is one of the analogues designed in a medicinal chemistry study to identify inhibitors of casein kinase 2 (CK2) [1].