compound 5 [PMID: 23232060]

Ligand id: 8192

Name: compound 5 [PMID: 23232060]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 73.65
Molecular weight 429.22
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ho KK, Parnell KM, Yuan Y, Xu Y, Kultgen SG, Hamblin S, Hendrickson TF, Luo B, Foulks JM, McCullar MV et al.. (2013)
Discovery of 4-phenyl-2-phenylaminopyridine based TNIK inhibitors.
Bioorg. Med. Chem. Lett., 23 (2): 569-73. [PMID:23232060]