CHEBI:149800 - 2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone

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ChEBI Name 2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
ChEBI ID CHEBI:149800
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H15ClN2OS
Net Charge 0
Average Mass 318.820
Monoisotopic Mass 318.05936
InChI InChI=1S/C16H15ClN2OS/c1-11-4-6-12(7-5-11)14-9-13(15-3-2-8-21-15)18-19(14)16(20)10-17/h2-8,14H,9-10H2,1H3
InChIKey VGGZGAOSHSLDIF-UHFFFAOYSA-N
SMILES ClCC(=O)N1N=C(CC1C2=CC=C(C=C2)C)C=3SC=CC3
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
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ChEBI Ontology
Outgoing 2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (CHEBI:149800) has role anticoronaviral agent (CHEBI:149553)
2-Chloro-1-[3-(4-methylphenyl)-5-thiophen-2-yl-3,4-dihydropyrazol-2-yl]ethanone (CHEBI:149800) is a toluenes (CHEBI:27024)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL