compound 5b [PMID: 17358052]

Ligand id: 1598

Name: compound 5b [PMID: 17358052]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.6
Molecular weight 232.07
XLogP 3.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-ethyl-4-oxo-5-phenylfuran-2-carboxylic acid
Synonyms
ethyl analogue of acifran
Database Links
BindingDB Ligand 50208125
CAS Registry No. 853260-98-7 (source: Scifinder)
ChEMBL Ligand CHEMBL436301
GtoPdb PubChem SID 135649832
PubChem CID 11148966
Search Google for chemical match using the InChIKey SUHZZFNDVLWPTL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SUHZZFNDVLWPTL
Search UniChem for chemical match using the InChIKey SUHZZFNDVLWPTL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SUHZZFNDVLWPTL