Name: SARS-CoV-2-IN-17
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT214434674
Cas No:2761911-44-6
常用名:SARS-CoV-2-IN-17
IUPAC:N-(5-ethyl-8,9-dimethoxy-5,6-dihydrophenanthridin-4-yl)-2,2,2-trifluoroacetamide
IUPAC:N-(5-ethyl-8,9-dimethoxy-5,6-dihydrophenanthridin-4-yl)-2,2,2-trifluoroacetamide
InChI key:KUFZGLOXILDZDD-UHFFFAOYSA-N

分子式:C19H19F3N2O3
分子量:380.367
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCN1Cc2cc(OC)c(OC)cc2-c2cccc(NC(=O)C(F)(F)F)c12
SMILES:CCN1Cc2cc(OC)c(OC)cc2-c2cccc(NC(=O)C(F)(F)F)c12

SARS-CoV-2-IN-17 (Compound 16) is a highly effective inhibitor of SARS-CoV-2 nucleocapsid protein (NPro). It demonstrates potent anti-viral activity, with an EC50 value of 2.18 μM. Furthermore, SARS-CoV-2-IN-17 binds to NPro with a low Kd value of 7.82 μM, highlighting its potency as a NPro ligand [1].

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