CHEBI:121660 - 3-[[1-oxo-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethyl]amino]benzoic acid

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ChEBI Name 3-[[1-oxo-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethyl]amino]benzoic acid ChEBI ID CHEBI:121660 Stars This entity has been manually annotated by a third party. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C22H20N4O3S Net Charge 0 Average Mass 420.486 Monoisotopic Mass 420.12561 InChI InChI=1S/C22H20N4O3S/c1-12-7-8-13(2)19-17(12)9-14(3)20-24-25-22(26(19)20)30-11-18(27)23-16-6-4-5-15(10-16)21(28)29/h4-10H,11H2,1-3H3,(H,23,27)(H,28,29) InChIKey HBLVBZWVYVFLJM-UHFFFAOYSA-N SMILES CC1=C2C=C(C3=NN=C(N3C2=C(C=C1)C)SCC(=O)NC4=CC=CC(=C4)C(=O)O)C 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 3-[[1-oxo-2-[(4,6,9-trimethyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]ethyl]amino]benzoic acid (CHEBI:121660) is a amidobenzoic acid (CHEBI:48470) Manual Xref Database LSM-33103 LINCS View more database links