compound 35 [PMID: 23916259]

Ligand id: 8842

Name: compound 35 [PMID: 23916259]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 91.55
Molecular weight 441.22
XLogP 4.89
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Li B, Cociorva OM, Nomanbhoy T, Weissig H, Li Q, Nakamura K, Liyanage M, Zhang MC, Shih AY, Aban A et al.. (2013)
Hit-to-lead optimization and kinase selectivity of imidazo[1,2-a]quinoxalin-4-amine derived JNK1 inhibitors.
Bioorg. Med. Chem. Lett., 23 (18): 5217-22. [PMID:23916259]