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
GtoPdb PubChem SID 249565851
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].