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canSAR161767
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NAMES
    SMILES
    CC1CCCN1CCN(C(=O)Nc1ccc(F)c(Cl)c1)[C@@H]1CC[C@]2(c3cccc(C#N)c3)CC2C1
    InChI
    InChI=1S/C28H32ClFN4O/c1-19-4-3-11-33(19)12-13-34(27(35)32-23-7-8-26(30)25(29)16-23)24-9-10-28(17-22(28)15-24)21-6-2-5-20(14-21)18-31/h2,5-8,14,16,19,22,24H,3-4,9-13,15,17H2,1H3,(H,32,35)/t19?,22?,24-,28-/m1/s1
    MOLECULAR FORMULA
    C28H32ClFN4O
    CROSS REFERENCES
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    canSAR161767

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.22
    AlogP 6.18
    HBond donors 1
    HBond acceptors 5
    Atoms 67
    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 canSAR161767.