compound 4 [PMID: 25259874]

Ligand id: 8384

Name: compound 4 [PMID: 25259874]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 14
Topological polar surface area 153.6
Molecular weight 428.19
XLogP 4.69
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