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
GtoPdb PubChem SID 178102172
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.