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CHEBI:116744 - 2-chloro-5-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoic acid

ChEBI IDCHEBI:116744
ChEBI Name2-chloro-5-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoic acid
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FormulaC16H11ClN4O3S2
Net Charge0
Average Mass406.876
Monoisotopic Mass405.99611
SMILESO=C(CSc1nnc(-c2ccncc2)s1)Nc1ccc(Cl)c(C(=O)O)c1
InChIInChI=1S/C16H11ClN4O3S2/c17-12-2-1-10(7-11(12)15(23)24)19-13(22)8-25-16-21-20-14(26-16)9-3-5-18-6-4-9/h1-7H,8H2,(H,19,22)(H,23,24)
InChIKeyIPWPZEUDOVPHLI-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-chloro-5-[[1-oxo-2-[(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)thio]ethyl]amino]benzoic acid (CHEBI:116744) is a amidobenzoic acid (CHEBI:48470)
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