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canSAR2089299
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NAMES
    SMILES
    CN1CCN(c2ccc(C(=O)Nc3ccc([C@@H]4C[C@]4(N)CCc4ccccc4)cc3)cc2)CC1
    InChI
    InChI=1S/C29H34N4O/c1-32-17-19-33(20-18-32)26-13-9-24(10-14-26)28(34)31-25-11-7-23(8-12-25)27-21-29(27,30)16-15-22-5-3-2-4-6-22/h2-14,27H,15-21,30H2,1H3,(H,31,34)/t27-,29+/m0/s1
    MOLECULAR FORMULA
    C29H34N4O
    CROSS REFERENCES
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    canSAR2089299

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 454.27
    AlogP 4.51
    HBond donors 3
    HBond acceptors 5
    Atoms 68
    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 canSAR2089299.