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canSAR398043
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NAMES
    SMILES
    COc1cccc(CC2CCN(C[C@@H](O)COc3cccc(Cl)c3C#N)CC2)c1
    InChI
    InChI=1S/C23H27ClN2O3/c1-28-20-5-2-4-18(13-20)12-17-8-10-26(11-9-17)15-19(27)16-29-23-7-3-6-22(24)21(23)14-25/h2-7,13,17,19,27H,8-12,15-16H2,1H3/t19-/m1/s1
    MOLECULAR FORMULA
    C23H27ClN2O3
    CROSS REFERENCES
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    canSAR398043

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.17
    AlogP 3.91
    HBond donors 1
    HBond acceptors 5
    Atoms 56
    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 canSAR398043.