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CHEBI:93001 - 4-[3-[5-oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl]benzoic acid

ChEBI IDCHEBI:93001
ChEBI Name4-[3-[5-oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl]benzoic acid
Stars
Last Modified24 July 2018
DownloadsMolfile
FormulaC22H19N5O3S
Net Charge0
Average Mass433.493
Monoisotopic Mass433.12086
SMILESO=C(O)c1ccc(-c2cccc(-c3nn4c(=O)cc(N5CCNCC5)nc4s3)c2)cc1
InChIInChI=1S/C22H19N5O3S/c28-19-13-18(26-10-8-23-9-11-26)24-22-27(19)25-20(31-22)17-3-1-2-16(12-17)14-4-6-15(7-5-14)21(29)30/h1-7,12-13,23H,8-11H2,(H,29,30)
InChIKeyIPUKQDAXCONVQT-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-[3-[5-oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl]benzoic acid (CHEBI:93001) is a biphenyls (CHEBI:22888)
4-[3-[5-oxo-7-(1-piperazinyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl]benzoic acid (CHEBI:93001) is a carboxybiphenyl (CHEBI:141493)
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