cinromide   Click here for help

GtoPdb Ligand ID: 10256

Synonyms: 3-bromo-N-ethylcinnamamide
Compound class: Synthetic organic
Comment: Cinromide exhibited antiepileptic (anticonvulsant) activity in animal models but very limited clinical usefulness in humans.
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 4
Topological polar surface area 29.1
Molecular weight 253.01
XLogP 2.92
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES CCNC(=O)C=Cc1cccc(c1)Br
Isomeric SMILES CCNC(=O)/C=C/c1cccc(c1)Br
InChI InChI=1S/C11H12BrNO/c1-2-13-11(14)7-6-9-4-3-5-10(12)8-9/h3-8H,2H2,1H3,(H,13,14)/b7-6+
InChI Key LDCXGZCEMNMWIL-VOTSOKGWSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
(2E)-3-(3-bromophenyl)-N-ethylprop-2-enamide
International Nonproprietary Names Click here for help
INN number INN
4227 cinromide
Synonyms Click here for help
3-bromo-N-ethylcinnamamide
Database Links Click here for help
CAS Registry No. 58473-74-8 (source: WHO INN record)
ChEMBL Ligand CHEMBL93233
DrugCentral Ligand 3102
GtoPdb PubChem SID 381744938
PubChem CID 688145
Search Google for chemical match using the InChIKey LDCXGZCEMNMWIL-VOTSOKGWSA-N
Search Google for chemicals with the same backbone LDCXGZCEMNMWIL
Search PubMed clinical trials cinromide
Search PubMed titles cinromide
Search PubMed titles/abstracts cinromide
Search UniChem for chemical match using the InChIKey LDCXGZCEMNMWIL-VOTSOKGWSA-N
Search UniChem for chemicals with the same backbone LDCXGZCEMNMWIL