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CHEBI:79991 - GW 0742

ChEBI IDCHEBI:79991
ChEBI NameGW 0742
Stars
Last Modified25 February 2016
DownloadsMolfile
FormulaC21H17F4NO3S2
Net Charge0
Average Mass471.497
Monoisotopic Mass471.05860
SMILESCc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O
InChIInChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)
InChIKeyHWVNEWGKWRGSRK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
GW 0742 (CHEBI:79991) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
C15625KEGG COMPOUND
LSM-3867LINCS
Registry NumbersSources
CAS:317318-84-6KEGG COMPOUND