CHEBI:149824 - 2-(N-[2-(Benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide

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ChEBI Name 2-(N-[2-(Benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide
ChEBI ID CHEBI:149824
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H31N5O2S
Net Charge 0
Average Mass 489.640
Monoisotopic Mass 489.21985
InChI InChI=1S/C27H31N5O2S/c1-17-13-18(2)24(19(3)14-17)32(23(33)15-31-22-10-8-7-9-21(22)29-30-31)25(20-11-12-35-16-20)26(34)28-27(4,5)6/h7-14,16,25H,15H2,1-6H3,(H,28,34)
InChIKey BBPBEYQEPZSXDB-UHFFFAOYSA-N
SMILES S1C=C(C(N(C2=C(C=C(C=C2C)C)C)C(=O)CN3N=NC=4C3=CC=CC4)C(=O)NC(C)(C)C)C=C1
Roles Classification
Biological Role(s): anticoronaviral agent
Any antiviral agent which inhibits the activity of coronaviruses.
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ChEBI Ontology
Outgoing 2-(N-[2-(Benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide (CHEBI:149824) has functional parent α-amino acid (CHEBI:33704)
2-(N-[2-(Benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide (CHEBI:149824) has role anticoronaviral agent (CHEBI:149553)
2-(N-[2-(Benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide (CHEBI:149824) is a organonitrogen compound (CHEBI:35352)
2-(N-[2-(Benzotriazol-1-yl)acetyl]-2,4,6-trimethylanilino)-N-tert-butyl-2-thiophen-3-ylacetamide (CHEBI:149824) is a organooxygen compound (CHEBI:36963)
General Comment
2020-05-22 anti-coronaviral activity data of this compound obtained from ChEMBL