compound 1 [PMID: 21939274]

Ligand id: 5743

Name: compound 1 [PMID: 21939274]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 95.24
Molecular weight 402.18
XLogP 2.31
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel