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.
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2D Structure
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Physico-chemical Properties
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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
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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+
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
4227 cinromide
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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
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UniChem Compound Search for chemical match using the InChIKey LDCXGZCEMNMWIL-VOTSOKGWSA-N
UniChem Connectivity Search for chemical match using the InChIKey LDCXGZCEMNMWIL-VOTSOKGWSA-N