compound 2 [PMID: 21105727]

Ligand id: 6222

Name: compound 2 [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 328.06
XLogP 3.34
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(6E)-N-(4-chlorophenyl)-6-(hydroxyimino)-2-oxatricyclo[5.4.0.0^{3,5}]undeca-1(11),7,9-triene-3-carboxamide
Database Links
ChEMBL Ligand CHEMBL1630805
GtoPdb PubChem SID 178102843
PubChem CID 49836087
Search Google for chemical match using the InChIKey ZRURMLHGCOJTNX-HKWRFOASSA-N
Search Google for chemicals with the same backbone ZRURMLHGCOJTNX
Search UniChem for chemical match using the InChIKey ZRURMLHGCOJTNX-HKWRFOASSA-N
Search UniChem for chemicals with the same backbone ZRURMLHGCOJTNX