WAY200070

Ligand Id: 4052
Ligand name WAY200070

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 66.49
Molecular weight 304.97
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
4-(7-bromo-5-hydroxy-3H-1,3-benzoxazol-2-ylidene)cyclohexa-2,5-dien-1-one
Synonyms
WAY 200070
WAY-200070
Database Links
CAS Registry No. 440122-66-7 (source: Scifinder)
ChEMBL Ligand CHEMBL188528
PubChem CID 9861330
Search Google for chemical match using the InChIKey BAAILVWEAXFTSF-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BAAILVWEAXFTSF
Comments
The representation of this compound on PubChem linked to above is an alternative tautomer. This tautomer is an intermediate of the equilibrium shift between phenol and phenolate undergone by the phenol group.