compound 21b [PMID: 12723954]

Ligand id: 630

Name: compound 21b [PMID: 12723954]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 5
Rotatable bonds 12
Topological polar surface area 98.05
Molecular weight 475.18
XLogP 7.4
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