Ligand id: 7710

Name: AZD5582

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 6
Rotatable bonds 24
Topological polar surface area 199.54
Molecular weight 1014.59
XLogP 6.12
No. Lipinski's rules broken 4

Molecular properties generated using the CDK

1. Hennessy EJ, Adam A, Aquila BM, Castriotta LM, Cook D, Hattersley M, Hird AW, Huntington C, Kamhi VM, Laing NM et al.. (2013)
Discovery of a novel class of dimeric Smac mimetics as potent IAP antagonists resulting in a clinical candidate for the treatment of cancer (AZD5582).
J. Med. Chem., 56 (24): 9897-919. [PMID:24320998]