compound 12 [PMID: 22521646]

Ligand id: 8125

Name: compound 12 [PMID: 22521646]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 59.29
Molecular weight 364.17
XLogP 4.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Aiguadé J, Balagué C, Carranco I, Caturla F, Domínguez M, Eastwood P, Esteve C, González J, Lumeras W, Orellana A et al.. (2012)
Novel triazolopyridylbenzamides as potent and selective p38α inhibitors.
Bioorg. Med. Chem. Lett.22 (10): 3431-6. [PMID:22521646]