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CHEBI:107062 - 4-[(4-fluorophenyl)-(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)methyl]-1-piperazinecarboxylic acid ethyl ester

ChEBI IDCHEBI:107062
ChEBI Name4-[(4-fluorophenyl)-(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)methyl]-1-piperazinecarboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC19H22FN5O3S
Net Charge0
Average Mass419.482
Monoisotopic Mass419.14274
SMILESCCOC(=O)N1CCN(C(c2ccc(F)cc2)c2sc3nc(C)nn3c2O)CC1
InChIInChI=1S/C19H22FN5O3S/c1-3-28-19(27)24-10-8-23(9-11-24)15(13-4-6-14(20)7-5-13)16-17(26)25-18(29-16)21-12(2)22-25/h4-7,15,26H,3,8-11H2,1-2H3
InChIKeyJBXLBQUMKOUYSF-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-[(4-fluorophenyl)-(6-hydroxy-2-methyl-5-thiazolo[3,2-b][1,2,4]triazolyl)methyl]-1-piperazinecarboxylic acid ethyl ester (CHEBI:107062) is a piperazinecarboxylic acid (CHEBI:48683)
Manual XrefsDatabases
LSM-18416LINCS