compound 10 [PMID: 19402633]

Ligand id: 8466

Name: compound 10 [PMID: 19402633]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 102.49
Molecular weight 587.22
XLogP 5.49
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Aliagas-Martin I, Burdick D, Corson L, Dotson J, Drummond J, Fields C, Huang OW, Hunsaker T, Kleinheinz T, Krueger E et al.. (2009)
A class of 2,4-bisanilinopyrimidine Aurora A inhibitors with unusually high selectivity against Aurora B.
J. Med. Chem., 52 (10): 3300-7. [PMID:19402633]