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CHEBI:105173 - 3-(1,3-benzothiazol-2-yl)-4-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-3-butenoic acid

ChEBI IDCHEBI:105173
ChEBI Name3-(1,3-benzothiazol-2-yl)-4-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-3-butenoic acid
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DownloadsMolfile
FormulaC21H15ClFN3O2S
Net Charge0
Average Mass427.888
Monoisotopic Mass427.05575
SMILESCc1nn(-c2ccc(F)cc2)c(Cl)c1C=C(CC(=O)O)c1nc2ccccc2s1
InChIInChI=1S/C21H15ClFN3O2S/c1-12-16(20(22)26(25-12)15-8-6-14(23)7-9-15)10-13(11-19(27)28)21-24-17-4-2-3-5-18(17)29-21/h2-10H,11H2,1H3,(H,27,28)
InChIKeyRTLMHOJYSNZDDT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-(1,3-benzothiazol-2-yl)-4-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-3-butenoic acid (CHEBI:105173) is a pyrazoles (CHEBI:26410)
3-(1,3-benzothiazol-2-yl)-4-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolyl]-3-butenoic acid (CHEBI:105173) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-16536LINCS