Name: SARS-CoV-2 Mpro-IN-9
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HIT ID:HIT218832561
Cas No:2754370-99-3
Common Name:SARS-CoV-2 Mpro-IN-9
alias:SARS-CoV-2 Mpro-IN 9, SARS-CoV-2 Mpro IN 9
alias:SARS-CoV-2 Mpro-IN 9, SARS-CoV-2 Mpro IN 9
IUPAC:5,6,7-trihydroxy-2,3-diphenyl-3,4-dihydroquinazolin-4-one
IUPAC:5,6,7-trihydroxy-2,3-diphenyl-3,4-dihydroquinazolin-4-one
InChI key:PNPMYLKONYDRLR-UHFFFAOYSA-N

Molecular Formula:C20H14N2O4
Molecular Weight:346.342
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:Oc1cc2nc(-c3ccccc3)n(-c3ccccc3)c(=O)c2c(O)c1O
SMILES:Oc1cc2nc(-c3ccccc3)n(-c3ccccc3)c(=O)c2c(O)c1O

SARS-CoV-2 Mpro-IN-9 (compound c7), a nonpeptidic, noncovalent inhibitor of SARS-CoV-2 main protease (Mpro), exhibits potent inhibitory action (IC<sub>50</sub> = 0.085 μM) and improved physicochemical and drug metabolism and pharmacokinetics (DMPK) properties. It effectively suppresses viral replication in SARS-CoV-2-infected Vero E6 cells (EC50 = 1.10 μM) and demonstrates low cytotoxicity (CC50 > 50 μM) [1].

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