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canSAR150029
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NAMES
    SMILES
    C#CCN(Cc1cc2c(=O)n(C)c(CN3CCN(CC)CC3)nc2cc1Cl)c1ccc(C(=O)NCc2cccnc2)cc1
    InChI
    InChI=1S/C33H36ClN7O2/c1-4-13-41(27-10-8-25(9-11-27)32(42)36-21-24-7-6-12-35-20-24)22-26-18-28-30(19-29(26)34)37-31(38(3)33(28)43)23-40-16-14-39(5-2)15-17-40/h1,6-12,18-20H,5,13-17,21-23H2,2-3H3,(H,36,42)
    MOLECULAR FORMULA
    C33H36ClN7O2
    CROSS REFERENCES
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    canSAR150029

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 597.26
    AlogP 3.69
    HBond donors 1
    HBond acceptors 9
    Atoms 79
    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 canSAR150029.