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canSAR1973047
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NAMES
    SMILES
    Oc1ccc(C[C@H]2CNCCN2CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1
    InChI
    InChI=1S/C21H22F6N2O/c22-20(23,24)16-9-15(10-17(12-16)21(25,26)27)5-7-29-8-6-28-13-18(29)11-14-1-3-19(30)4-2-14/h1-4,9-10,12,18,28,30H,5-8,11,13H2/t18-/m0/s1
    MOLECULAR FORMULA
    C21H22F6N2O
    CROSS REFERENCES
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    canSAR1973047

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.16
    AlogP 4.49
    HBond donors 2
    HBond acceptors 3
    Atoms 52
    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 canSAR1973047.