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Chemistry

Mol. Mass

445.42

ALogP

4.3

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc3[nH]ncc23)CC1
  • InChIKey: FYXRSVDHGLUMHB-UHFFFAOYSA-N
    InChI=1S/C21H19F4N7/c1-31-10-17(13-2-3-16(22)15(8-13)21(23,24)25)29-19(31)12-4-6-32(7-5-12)20-14-9-28-30-18(14)26-11-27-20/h2-3,8-12H,4-7H2,1H3,(H,26,27,28,30)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3545076   ChEMBL
ly-2584702

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