CHEBI:79991 - GW 0742

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ChEBI Name GW 0742
ChEBI ID CHEBI:79991
Stars This entity has been manually annotated by a third party.
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Formula C21H17F4NO3S2
Net Charge 0
Average Mass 471.48800
Monoisotopic Mass 471.05860
InChI InChI=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)
InChIKey HWVNEWGKWRGSRK-UHFFFAOYSA-N
SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing GW 0742 (CHEBI:79991) is a monocarboxylic acid (CHEBI:25384)
Manual Xrefs Databases
C15625 KEGG COMPOUND
LSM-3867 LINCS
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Registry Number Type Source
317318-84-6 CAS Registry Number KEGG COMPOUND
Last Modified
25 February 2016