compound 24 [PMID: 23441572]

Ligand id: 8147

Name: compound 24 [PMID: 23441572]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 65.77
Molecular weight 532.22
XLogP 5.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Desai B, Dixon K, Farrant E, Feng Q, Gibson KR, van Hoorn WP, Mills J, Morgan T, Parry DM, Ramjee MK et al.. (2013)
Rapid discovery of a novel series of Abl kinase inhibitors by application of an integrated microfluidic synthesis and screening platform.
J. Med. Chem., 56 (7): 3033-47. [PMID:23441572]