compound 12 [Wattanasin et al.,1997]

Ligand id: 3130

Name: compound 12 [Wattanasin et al.,1997]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 12
Topological polar surface area 101.93
Molecular weight 403.22
XLogP 3.2
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-({[(3-{[(2E)-3,7-dimethylocta-2,6-dien-1-yl]oxy}phenyl)methyl]carbamoyl}(hydroxy)amino)-2-methylpropanoate
Database Links
ChEMBL Ligand CHEMBL1205490
GtoPdb PubChem SID 135649683
PubChem CID 56947012
Search Google for chemical match using the InChIKey NOJVBPONEXVKGV-SFQUDFHCSA-M
Search Google for chemicals with the same backbone NOJVBPONEXVKGV
Search UniChem for chemical match using the InChIKey NOJVBPONEXVKGV-SFQUDFHCSA-M
Search UniChem for chemicals with the same backbone NOJVBPONEXVKGV
Comments
ChEMBL represents this compound without the charge.