fenobam   Click here for help

GtoPdb Ligand ID: 1434

Synonyms: MCN-3377-98
PDB Ligand
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
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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
International Nonproprietary Names Click here for help
INN number INN
4065 fenobam
Synonyms Click here for help
MCN-3377-98
Database Links Click here for help
CAS Registry No. 57653-26-6 (source: Scifinder)
ChEMBL Ligand CHEMBL239800
GtoPdb PubChem SID 135650255
PubChem CID 162834
RCSB PDB Ligand D7W, D7W
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Tocris
Fenobam
Cat. No. 2386