CHEBI:149830 - 2-Chloro-1-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]ethan-1-one

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ChEBI Name 2-Chloro-1-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]ethan-1-one
ChEBI ID CHEBI:149830
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H13ClN2O3
Net Charge 0
Average Mass 292.720
Monoisotopic Mass 292.06147
InChI InChI=1S/C14H13ClN2O3/c1-9-6-13(14(18)8-15)10(2)16(9)11-4-3-5-12(7-11)17(19)20/h3-7H,8H2,1-2H3
InChIKey QOZASFMCZPUFTP-UHFFFAOYSA-N
SMILES ClCC(=O)C1=C(N(C=2C=C([N+]([O-])=O)C=CC2)C(=C1)C)C
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-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]ethan-1-one (CHEBI:149830) has role anticoronaviral agent (CHEBI:149553)
2-Chloro-1-[2,5-dimethyl-1-(3-nitrophenyl)-1H-pyrrol-3-yl]ethan-1-one (CHEBI:149830) is a pyrroles (CHEBI:26455)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL