compound 49 [PMID: 24405707]

Ligand id: 8992

Name: compound 49 [PMID: 24405707]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 104.74
Molecular weight 708.42
XLogP 5.32
No. Lipinski's rules broken 1

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