compound 8 [PMID: 24044867]

Ligand id: 8195

Name: compound 8 [PMID: 24044867]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 72.16
Molecular weight 399.16
XLogP 3.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Goodfellow VS, Loweth CJ, Ravula SB, Wiemann T, Nguyen T, Xu Y, Todd DE, Sheppard D, Pollack S, Polesskaya O et al.. (2013)
Discovery, synthesis, and characterization of an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3.
J. Med. Chem.56 (20): 8032-48. [PMID:24044867]