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

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ChEBI Name	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide

ChEBI ID	CHEBI:40300

ChEBI ASCII Name	N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C16H13FN2OS

Net Charge

Average Mass

300.352

Monoisotopic Mass

300.07326

InChI

InChI=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)

InChIKey

YVYPYORTKAIUGJ-UHFFFAOYSA-N

SMILES

C(=O)(C1=C(C=CC=C1)F)NC=2SC3=C(C2C#N)CCCC3

Roles Classification
Biological Role(s):	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	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

Registry Number	Type	Source
9960763	Reaxys Registry Number	Reaxys

Citation	Type	Source
17194588	PubMed citation	Europe PMC

Last Modified

25 November 2015