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CHEBI:48659 - 2-[5-phenoxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid

ChEBI IDCHEBI:48659
ChEBI Name2-[5-phenoxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid
Stars
Last Modified3 November 2014
Submitterhcourrier
DownloadsMolfile
FormulaC24H21F3O3
Net Charge0
Average Mass414.423
Monoisotopic Mass414.14428
SMILESCCCC(C(=O)O)c1cc(Oc2ccccc2)cc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H21F3O3/c1-2-6-22(23(28)29)18-13-17(16-9-11-19(12-10-16)24(25,26)27)14-21(15-18)30-20-7-4-3-5-8-20/h3-5,7-15,22H,2,6H2,1H3,(H,28,29)
InChIKeyYUKWJJUIYSFQHR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
gamma-secretase modulator  A modulator of γ-secretase, one of the three endopeptidases that are specific for amyloid protein precursor and which have been identified based upon the region of the amyloid protein precursor which they cleave.
ChEBI Ontology
Outgoing Relation(s)
2-[5-phenoxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid (CHEBI:48659) has role γ-secretase modulator (CHEBI:48668)
2-[5-phenoxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid (CHEBI:48659) is a (trifluoromethyl)benzenes (CHEBI:83565)
2-[5-phenoxy-4'-(trifluoromethyl)biphenyl-3-yl]pentanoic acid (CHEBI:48659) is a biphenylyl carboxylic acid (CHEBI:48660)
IUPAC Name 
2-[5-phenoxy-4'-(trifluoromethyl)[1,1'-biphenyl]-3-yl]pentanoic acid
Synonym  Source
2-(5-(phenoxy)-4'-trifluoromethyl-biphenyl-3-yl)-pentanoic acidPatent
Manual XrefsDatabases
EP1849762Patent