compound 2 [PMID: 19230660]

Ligand id: 5530

Name: compound 2 [PMID: 19230660]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 82.5
Molecular weight 542.34
XLogP 5.13
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
ChEMBL Ligand CHEMBL463274
PubChem CID 11856565
Search Google for chemical match using the InChIKey MZUNJRMUTJBHGB-LJAQVGFWSA-N
Search Google for chemicals with the same backbone MZUNJRMUTJBHGB
Search UniChem for chemical match using the InChIKey MZUNJRMUTJBHGB-LJAQVGFWSA-N
Search UniChem for chemicals with the same backbone MZUNJRMUTJBHGB
Comments
The chemical structure of this compound is drawn from the article which describes its discovery [1]. The entry on PubChem linked to above shows a different tautomer, with InChi Key VXQODUTXJSINFP-LJAQVGFWSA-N.