compound 47 [PMID: 28737909]

Ligand id: 9646

Name: compound 47 [PMID: 28737909]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 111.61
Molecular weight 265.1
XLogP 0.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Anthony NG, Baiget J, Berretta G, Boyd M, Breen D, Edwards J, Gamble C, Gray AI, Harvey AL, Hatziieremia S et al.. (2017)
Inhibitory Kappa B Kinase α (IKKα) Inhibitors That Recapitulate Their Selectivity in Cells against Isoform-Related Biomarkers.
J. Med. Chem., 60 (16): 7043-7066. [PMID:28737909]