A-803467   Click here for help

GtoPdb Ligand ID: 5734

Synonyms: A 803467 | A803467
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 60.7
Molecular weight 357.08
XLogP 4.1
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES COc1cc(cc(c1)OC)NC(=O)c1ccc(o1)c1ccc(cc1)Cl
Isomeric SMILES COc1cc(cc(c1)OC)NC(=O)c1ccc(o1)c1ccc(cc1)Cl
InChI InChI=1S/C19H16ClNO4/c1-23-15-9-14(10-16(11-15)24-2)21-19(22)18-8-7-17(25-18)12-3-5-13(20)6-4-12/h3-11H,1-2H3,(H,21,22)
InChI Key VHKBTPQDHDSBSP-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(4-chlorophenyl)-N-(3,5-dimethoxyphenyl)furan-2-carboxamide
Synonyms Click here for help
A 803467 | A803467
Database Links Click here for help
CAS Registry No. 944261-79-4 (source: Scifinder)
ChEMBL Ligand CHEMBL250699
GtoPdb PubChem SID 178102360
PubChem CID 16038374
Search Google for chemical match using the InChIKey VHKBTPQDHDSBSP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VHKBTPQDHDSBSP
Search UniChem for chemical match using the InChIKey VHKBTPQDHDSBSP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VHKBTPQDHDSBSP

Product suppliers

View disclaimer

Tocris
A 803467
Cat. No. 2976