Name: SARS-CoV-2-IN-106
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HIT ID:HIT218667120
Cas No:2863607-73-0
Common Name:SARS-CoV-2-IN-106
IUPAC:N-{3-fluoro-5-[({1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-yl}formamido)methyl]phenyl}-4-methylpiperazine-1-carboxamide
IUPAC:N-{3-fluoro-5-[({1-[(1R)-1-(naphthalen-1-yl)ethyl]piperidin-4-yl}formamido)methyl]phenyl}-4-methylpiperazine-1-carboxamide
InChIKey:ZGUISYSWQQIAHK-JOCHJYFZSA-N

Molecular Formula:C31H38FN5O2
Molecular Weight:531.676
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:C[C@@H](N1CCC(CC1)C(=O)NCc1cc(F)cc(NC(=O)N2CCN(C)CC2)c1)c1cccc2ccccc12
SMILES:C[C@@H](N1CCC(CC1)C(=O)NCc1cc(F)cc(NC(=O)N2CCN(C)CC2)c1)c1cccc2ccccc12

SARS-CoV-2-IN-106 (compound 19) is a SARS-CoV-2 papain-like protease inhibitor, displaying IC₅₀ values of 0.44 μM for papain-like proteases and 0.18 μM for viral replication.

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