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CHEBI:114490 - 4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylthio)-1-oxoethyl]amino]benzoic acid butyl ester

ChEBI IDCHEBI:114490
ChEBI Name4-[[2-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylthio)-1-oxoethyl]amino]benzoic acid butyl ester
Stars
DownloadsMolfile
FormulaC23H24N4O3S
Net Charge0
Average Mass436.537
Monoisotopic Mass436.15691
SMILESCCCCOC(=O)c1ccc(NC(=O)CSC2=Nc3ccccc3C3CC=NN23)cc1
InChIInChI=1S/C23H24N4O3S/c1-2-3-14-30-22(29)16-8-10-17(11-9-16)25-21(28)15-31-23-26-19-7-5-4-6-18(19)20-12-13-24-27(20)23/h4-11,13,20H,2-3,12,14-15H2,1H3,(H,25,28)
InChIKeyLIUBRVKLSBHUPW-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-(1,10b-dihydropyrazolo[1,5-c]quinazolin-5-ylthio)-1-oxoethyl]amino]benzoic acid butyl ester (CHEBI:114490) is a amidobenzoic acid (CHEBI:48470)
Manual XrefsDatabases
LSM-25951LINCS