compound 5a [PMID: 27536893]

Ligand id: 9300

Name: compound 5a [PMID: 27536893]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 119.67
Molecular weight 405.14
XLogP 3.11
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kuo TC, Li LW, Pan SH, Fang JM, Liu JH, Cheng TJ, Wang CJ, Hung PF, Chen HY, Hong TM et al.. (2016)
Purine-Type Compounds Induce Microtubule Fragmentation and Lung Cancer Cell Death through Interaction with Katanin.
J. Med. Chem., 59 (18): 8521-34. [PMID:27536893]