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CHEBI:149808 - 2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one

ChEBI IDCHEBI:149808
ChEBI Name2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one
Stars
DownloadsMolfile
FormulaC17H17ClN2O3S
Net Charge0
Average Mass364.854
Monoisotopic Mass364.06484
SMILESCOc1ccc(C2CC(c3cccs3)=NN2C(=O)CCl)cc1OC
InChIInChI=1S/C17H17ClN2O3S/c1-22-14-6-5-11(8-15(14)23-2)13-9-12(16-4-3-7-24-16)19-20(13)17(21)10-18/h3-8,13H,9-10H2,1-2H3
InChIKeyAQTIYCHYBRWPPP-UHFFFAOYSA-N
Roles Classification
Biological Role:
anticoronaviral agent  Any antiviral agent which inhibits the activity of coronaviruses.
ChEBI Ontology
Outgoing Relation(s)
2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one (CHEBI:149808) has role anticoronaviral agent (CHEBI:149553)
2-Chloro-1-[5-(3,4-dimethoxyphenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one (CHEBI:149808) is a dimethoxybenzene (CHEBI:51681)