compound E22 [PMID: 31298542]

Ligand id: 10437

Name: compound E22 [PMID: 31298542]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 101.19
Molecular weight 525.11
XLogP 3.44
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Dong X, Zhan W, Zhao M, Che J, Dai X, Wu Y, Xu L, Zhou Y, Zhao Y, Tian T et al.. (2019)
Discovery of 3,4,6-Trisubstituted Piperidine Derivatives as Orally Active, Low hERG Blocking Akt Inhibitors via Conformational Restriction and Structure-Based Design.
J. Med. Chem., 62 (15): 7264-7288. [PMID:31298542]