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

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ChEBI Name 3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid
ChEBI ID CHEBI:117004
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H15F2N3O3S
Net Charge 0
Average Mass 451.447
Monoisotopic Mass 451.08022
InChI InChI=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)
InChIKey QOKUVHNXTSLISH-UHFFFAOYSA-N
SMILES C1=CC(=CC(=C1)NC(=O)CSC2=NC(=NC3=C2C=C(C=C3)F)C4=CC=C(C=C4)F)C(=O)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 3-[[2-[[6-fluoro-2-(4-fluorophenyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid (CHEBI:117004) is a amidobenzoic acid (CHEBI:48470)
Manual Xref Database
LSM-28452 LINCS
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