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CHEBI:40300 - N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide

ChEBI IDCHEBI:40300
ChEBI NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Stars
ASCII NameN-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
DefinitionA member of the class of benzamides obtained by formal condensation of the carboxy group of 2-fluorobenzoic acid with the amino group of 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile.
Last Modified25 November 2015
DownloadsMolfile
FormulaC16H13FN2OS
Net Charge0
Average Mass300.358
Monoisotopic Mass300.07326
SMILESN#Cc1c(NC(=O)c2ccccc2F)sc2c1CCCC2
InChIInChI=1S/C16H13FN2OS/c17-13-7-3-1-6-11(13)15(20)19-16-12(9-18)10-5-2-4-8-14(10)21-16/h1,3,6-7H,2,4-5,8H2,(H,19,20)
InChIKeyYVYPYORTKAIUGJ-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of mitogen-activated protein kinase (EC 2.7.11.24).
ChEBI Ontology
Outgoing Relation(s)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide (CHEBI:40300) has role EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor (CHEBI:79091)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide (CHEBI:40300) is a 1-benzothiophenes (CHEBI:38836)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide (CHEBI:40300) is a benzamides (CHEBI:22702)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide (CHEBI:40300) is a monofluorobenzenes (CHEBI:83575)
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide (CHEBI:40300) is a nitrile (CHEBI:18379)
IUPAC Name 
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
Manual XrefsDatabases
738PDBeChem
DB07217DrugBank
Registry NumbersSources
Reaxys:9960763Reaxys
Citations