18c [PMID: 25901531]

Ligand id: 9227

Name: 18c [PMID: 25901531]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 106.95
Molecular weight 410.08
XLogP 3.26
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Patel HJ, Patel PD, Ochiana SO, Yan P, Sun W, Patel MR, Shah SK, Tramentozzi E, Brooks J, Bolaender A et al.. (2015)
Structure-activity relationship in a purine-scaffold compound series with selectivity for the endoplasmic reticulum Hsp90 paralog Grp94.
J. Med. Chem.58 (9): 3922-43. [PMID:25901531]