compound 1 [PMID: 24930776]

Ligand id: 9092

Name: compound 1 [PMID: 24930776]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 7
Rotatable bonds 8
Topological polar surface area 323.97
Molecular weight 676.13
XLogP 3.83
No. Lipinski's rules broken 2

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