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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

ChEBI IDCHEBI:121660
ChEBI Name3-[[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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DownloadsMolfile
FormulaC22H20N4O3S
Net Charge0
Average Mass420.494
Monoisotopic Mass420.12561
SMILESCc1ccc(C)c2c1cc(C)c1nnc(SCC(=O)Nc3cccc(C(=O)O)c3)n12
InChIInChI=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)
InChIKeyHBLVBZWVYVFLJM-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-[[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 XrefsDatabases
LSM-33103LINCS