[3H]fenobam   Click here for help

GtoPdb Ligand ID: 1433

PDB Ligand  Ligand is labelled  Ligand is radioactive
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 6
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 73.8
Molecular weight 266.06
XLogP 1.77
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl
Isomeric SMILES O=C(NC1=NC(=O)CN1C)Nc1cccc(c1)Cl
InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-5H,6H2,1H3,(H2,13,14,15,17,18)
InChI Key DWPQODZAOSWNHB-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
3-(3-chlorophenyl)-1-(1-methyl-4-oxo-5H-imidazol-2-yl)urea
Database Links Click here for help
ChEMBL Ligand CHEMBL239800
GtoPdb PubChem SID 135651153
PubChem CID 162834
RCSB PDB Ligand D7W, D7W
Search Google for chemical match using the InChIKey DWPQODZAOSWNHB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DWPQODZAOSWNHB
Search UniChem for chemical match using the InChIKey DWPQODZAOSWNHB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DWPQODZAOSWNHB

Product suppliers

View disclaimer

Tocris
Fenobam
Cat. No. 2386