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CHEBI:117004 - 3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid

ChEBI IDCHEBI:117004
ChEBI Name3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid
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FormulaC23H15F2N3O3S
Net Charge0
Average Mass451.454
Monoisotopic Mass451.08022
SMILESO=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12)Nc1cccc(C(=O)O)c1
InChIInChI=1S/C23H15F2N3O3S/c24-15-6-4-13(5-7-15)21-27-19-9-8-16(25)11-18(19)22(28-21)32-12-20(29)26-17-3-1-2-14(10-17)23(30)31/h1-11H,12H2,(H,26,29)(H,30,31)
InChIKeyQOKUVHNXTSLISH-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)
3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid (CHEBI:117004) is a amidobenzoic acid (CHEBI:48470)
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