compound 19 [PMID: 7707314]

Ligand id: 8892

Name: compound 19 [PMID: 7707314]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 92.62
Molecular weight 441.03
XLogP 2.16
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
BindingDB Ligand 50034013
ChEMBL Ligand CHEMBL13935
GtoPdb PubChem SID 310264673
PubChem CID 10460355
Search Google for chemical match using the InChIKey WBLBIGPXRKCBEI-FQEVSTJZSA-N
Search Google for chemicals with the same backbone WBLBIGPXRKCBEI
Search UniChem for chemical match using the InChIKey WBLBIGPXRKCBEI-FQEVSTJZSA-N
Search UniChem for chemicals with the same backbone WBLBIGPXRKCBEI
Comments
Compound 19 is reported as an inhibitor of topoisomerase I [1].