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CHEBI:113235 - 2-[[2-[(3,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid

ChEBI IDCHEBI:113235
ChEBI Name2-[[2-[(3,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid
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FormulaC22H22N2O5S
Net Charge0
Average Mass426.494
Monoisotopic Mass426.12494
SMILESCOc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2C)c(C(=O)O)cc1OC
InChIInChI=1S/C22H22N2O5S/c1-12-5-6-14-8-13(2)21(24-16(14)7-12)30-11-20(25)23-17-10-19(29-4)18(28-3)9-15(17)22(26)27/h5-10H,11H2,1-4H3,(H,23,25)(H,26,27)
InChIKeyKWCXKTAJOYKFNP-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)
2-[[2-[(3,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid (CHEBI:113235) is a amidobenzoic acid (CHEBI:48470)
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