IS1

Ligand id: 8517

Name: IS1

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 84.23
Molecular weight 347.13
XLogP 4.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[(Z)-1-furan-2-yl-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide
Database Links
ChEMBL Ligand CHEMBL1499206
PubChem CID 2874943
Search Google for chemical match using the InChIKey ANTQNDKESCDJPE-PDGQHHTCSA-N
Search Google for chemicals with the same backbone ANTQNDKESCDJPE
Search UniChem for chemical match using the InChIKey ANTQNDKESCDJPE-PDGQHHTCSA-N
Search UniChem for chemicals with the same backbone ANTQNDKESCDJPE