compound 10b [PMID: 26222319]

Ligand id: 8731

Name: compound 10b [PMID: 26222319]

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 72.63
Molecular weight 248.12
XLogP 0.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Papeo G, Posteri H, Borghi D, Busel AA, Caprera F, Casale E, Ciomei M, Cirla A, Corti E, D'Anello M et al.. (2015)
Discovery of 2-[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]-6-fluoro-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide (NMS-P118): A Potent, Orally Available, and Highly Selective PARP-1 Inhibitor for Cancer Therapy.
J. Med. Chem.,  [Epub ahead of print]. [PMID:26222319]