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CHEBI:109396 - 2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester

ChEBI IDCHEBI:109396
ChEBI Name2-[[2-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester
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FormulaC19H19N5O3S
Net Charge0
Average Mass397.460
Monoisotopic Mass397.12086
SMILESCOC(=O)c1ccccc1NC(=O)CSc1nnnn1-c1ccc(C)cc1C
InChIInChI=1S/C19H19N5O3S/c1-12-8-9-16(13(2)10-12)24-19(21-22-23-24)28-11-17(25)20-15-7-5-4-6-14(15)18(26)27-3/h4-10H,11H2,1-3H3,(H,20,25)
InChIKeyYRPXOLGFWXYTOU-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-[[1-(2,4-dimethylphenyl)-5-tetrazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester (CHEBI:109396) is a amidobenzoic acid (CHEBI:48470)
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LSM-20794LINCS