compound 31 [PMID: 23374866]

Ligand id: 8174

Name: compound 31 [PMID: 23374866]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 5
Topological polar surface area 106.28
Molecular weight 366.17
XLogP 1.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Li K, McGee LR, Fisher B, Sudom A, Liu J, Rubenstein SM, Anwer MK, Cushing TD, Shin Y, Ayres M et al.. (2013)
Inhibiting NF-κB-inducing kinase (NIK): discovery, structure-based design, synthesis, structure-activity relationship, and co-crystal structures.
Bioorg. Med. Chem. Lett., 23 (5): 1238-44. [PMID:23374866]