compound 34 [PMID: 24749861]

Ligand id: 8129

Name: compound 34 [PMID: 24749861]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 120.62
Molecular weight 287.09
XLogP 2.4
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ranatunga S, Tang CH, Kang CW, Kriss CL, Kloppenburg BJ, Hu CC, Del Valle JR. (2014)
Synthesis of novel tricyclic chromenone-based inhibitors of IRE-1 RNase activity.
J. Med. Chem., 57 (10): 4289-301. [PMID:24749861]