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canSAR165081
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NAMES
    SMILES
    COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)Cc2ccccn2)c2c[nH]c3ccccc23)cc1
    InChI
    InChI=1S/C36H33N7O2/c1-45-27-16-13-24(14-17-27)23-43-33(18-15-25-21-38-31-11-4-2-9-28(25)31)41-42-36(43)35(30-22-39-32-12-5-3-10-29(30)32)40-34(44)20-26-8-6-7-19-37-26/h2-14,16-17,19,21-22,35,38-39H,15,18,20,23H2,1H3,(H,40,44)/t35-/m1/s1
    MOLECULAR FORMULA
    C36H33N7O2
    CROSS REFERENCES
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    canSAR165081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 595.27
    AlogP 5.93
    HBond donors 3
    HBond acceptors 9
    Atoms 78
    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 canSAR165081.