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Small molecule Experimental

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Chemistry

Mol. Mass

531.89

ALogP

1.75

Rule of 5

No

Rule of 3

No
Details
  • SMILES: Cn1cnc(Cn2c(=O)[nH]/c(=N\c3cc4cn(C)nc4cc3Cl)n(Cc3cc(F)c(F)cc3F)c2=O)n1
  • InChIKey: QMPBBNUOBOFBFS-UHFFFAOYSA-N
    InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL5183847   ChEMBL
ensitrelvir

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