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

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ChEBI Name 2-[[2-[(3,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid ChEBI ID CHEBI:113235 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 C22H22N2O5S Net Charge 0 Average Mass 426.487 Monoisotopic Mass 426.12494 InChI InChI=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) InChIKey KWCXKTAJOYKFNP-UHFFFAOYSA-N SMILES CC1=CC2=NC(=C(C=C2C=C1)C)SCC(=O)NC3=CC(=C(C=C3C(=O)O)OC)OC 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 2-[[2-[(3,7-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4,5-dimethoxybenzoic acid (CHEBI:113235) is a amidobenzoic acid (CHEBI:48470) Manual Xref Database LSM-24646 LINCS View more database links