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canSAR1769854
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NAMES
    SMILES
    OCC1(CNCc2ccnc(-c3ccc(C(F)(F)F)cc3)n2)CCC1
    InChI
    InChI=1S/C18H20F3N3O/c19-18(20,21)14-4-2-13(3-5-14)16-23-9-6-15(24-16)10-22-11-17(12-25)7-1-8-17/h2-6,9,22,25H,1,7-8,10-12H2
    MOLECULAR FORMULA
    C18H20F3N3O
    CROSS REFERENCES
    1769854 logo

    canSAR1769854

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 351.16
    AlogP 3.41
    HBond donors 2
    HBond acceptors 4
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1769854.