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HIT103410041
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HIT103410041
  • HIT ID:HIT103410041
  • Cas No:
  • Common Name:SARS-CoV-2-IN-33
  • IUPAC:4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(3,4,5-trimethoxyphenyl)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
    IUPAC:4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)(3,4,5-trimethoxyphenyl)methyl]-3-methyl-1-phenyl-1H-pyrazol-5-ol
  • InChIKey:KUOWSCYCAAGCPB-UHFFFAOYSA-N
  • Molecular Formula:C30H30N4O5
  • Molecular Weight:526.593
  • Hydrogen Bond Donor (HBD):2
  • Hydrogen Bond Acceptor (HBA):9
  • LogP:4.698
  • SMILES:COc1cc(cc(OC)c1OC)C(c1c(C)nn(c1O)-c1ccccc1)c1c(C)nn(c1O)-c1ccccc1
    SMILES:COc1cc(cc(OC)c1OC)C(c1c(C)nn(c1O)-c1ccccc1)c1c(C)nn(c1O)-c1ccccc1
  • SARS-CoV-2-IN-33 is an inhibitor of COVID-19. SARS-CoV-2-IN-3 exhibits good binding affinity (-8.0 Kcal/mole) for COVID-19 major protease (Mpro) (PDB ID: 6LU7). SARS-CoV-2-IN-33 exhibits good anti-proliferative effects on cancer cells. SSARS-CoV-2-IN-33 can be used to study cancer and COVID-19.
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