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CHEBI:111407 - 4,5-dimethoxy-2-[[1-oxo-2-[(3,5,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid

ChEBI IDCHEBI:111407
ChEBI Name4,5-dimethoxy-2-[[1-oxo-2-[(3,5,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid
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DownloadsMolfile
FormulaC23H24N2O5S
Net Charge0
Average Mass440.521
Monoisotopic Mass440.14059
SMILESCOc1cc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)c(C(=O)O)cc1OC
InChIInChI=1S/C23H24N2O5S/c1-12-6-7-13(2)21-15(12)8-14(3)22(25-21)31-11-20(26)24-17-10-19(30-5)18(29-4)9-16(17)23(27)28/h6-10H,11H2,1-5H3,(H,24,26)(H,27,28)
InChIKeyRKMNDAWJVXOWIR-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)
4,5-dimethoxy-2-[[1-oxo-2-[(3,5,8-trimethyl-2-quinolinyl)thio]ethyl]amino]benzoic acid (CHEBI:111407) is a amidobenzoic acid (CHEBI:48470)
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