compound 3 [PMID: 21105727]

Ligand id: 6223

Name: compound 3 [PMID: 21105727]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 70.92
Molecular weight 308.12
XLogP 3.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6E)-6-(hydroxyimino)-N-(4-methylphenyl)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide
Database Links
ChEMBL Ligand CHEMBL1630806
PubChem CID 49858117
Search Google for chemical match using the InChIKey VKCTUZKPBYSTDW-SILNSSARSA-N
Search Google for chemicals with the same backbone VKCTUZKPBYSTDW
Search UniChem for chemical match using the InChIKey VKCTUZKPBYSTDW-SILNSSARSA-N
Search UniChem for chemicals with the same backbone VKCTUZKPBYSTDW