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canSAR92769
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NAMES
    SMILES
    Oc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC2COc3ccc(F)cc3O2)CC1
    InChI
    InChI=1S/C22H21F4N3O3/c23-14-2-4-19-20(10-14)32-16(12-31-19)11-28-7-5-15(6-8-28)29-18-3-1-13(22(24,25)26)9-17(18)27-21(29)30/h1-4,9-10,15-16H,5-8,11-12H2,(H,27,30)
    MOLECULAR FORMULA
    C22H21F4N3O3
    CROSS REFERENCES
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    canSAR92769

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.15
    AlogP 4.38
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR92769.