compound 4 [PMID: 21105727]

Ligand id: 6224

Name: compound 4 [PMID: 21105727]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 80.15
Molecular weight 324.11
XLogP 2.8
No. Lipinski's rules broken 0

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(6E)-6-(hydroxyimino)-N-(4-methoxyphenyl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide
Database Links
ChEMBL Ligand CHEMBL1630807
GtoPdb PubChem SID 178102845
PubChem CID 49858118
Search Google for chemical match using the InChIKey VRGVOWFKLSZRDR-SILNSSARSA-N
Search Google for chemicals with the same backbone VRGVOWFKLSZRDR
Search UniChem for chemical match using the InChIKey VRGVOWFKLSZRDR-SILNSSARSA-N
Search UniChem for chemicals with the same backbone VRGVOWFKLSZRDR