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CHEBI:109738 - 4-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid

ChEBI IDCHEBI:109738
ChEBI Name4-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid
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DownloadsMolfile
FormulaC18H16N4O3S2
Net Charge0
Average Mass400.485
Monoisotopic Mass400.06638
SMILESCc1cccc(Nc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)s2)c1
InChIInChI=1S/C18H16N4O3S2/c1-11-3-2-4-14(9-11)20-17-21-22-18(27-17)26-10-15(23)19-13-7-5-12(6-8-13)16(24)25/h2-9H,10H2,1H3,(H,19,23)(H,20,21)(H,24,25)
InChIKeyLFEVDFNYMWKMJP-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-[[2-[[5-(3-methylanilino)-1,3,4-thiadiazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid (CHEBI:109738) is a amidobenzoic acid (CHEBI:48470)
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