compound 6ee [PMID: 22364528]

Ligand id: 8796

Name: compound 6ee [PMID: 22364528]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 126.56
Molecular weight 587.25
XLogP 5.34
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Vachal P, Miao S, Pierce JM, Guiadeen D, Colandrea VJ, Wyvratt MJ, Salowe SP, Sonatore LM, Milligan JA, Hajdu R et al.. (2012)
1,3,8-Triazaspiro[4.5]decane-2,4-diones as efficacious pan-inhibitors of hypoxia-inducible factor prolyl hydroxylase 1-3 (HIF PHD1-3) for the treatment of anemia.
J. Med. Chem.55 (7): 2945-59. [PMID:22364528]