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canSAR558586
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NAMES
    SMILES
    COc1ccc2ncc(C#N)c(CCN3CCC(NCc4ccc5c(n4)NC(=O)CS5)CC3)c2n1
    InChI
    InChI=1S/C25H27N7O2S/c1-34-23-5-3-20-24(31-23)19(16(12-26)13-28-20)8-11-32-9-6-17(7-10-32)27-14-18-2-4-21-25(29-18)30-22(33)15-35-21/h2-5,13,17,27H,6-11,14-15H2,1H3,(H,29,30,33)
    MOLECULAR FORMULA
    C25H27N7O2S
    CROSS REFERENCES
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    canSAR558586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.19
    AlogP 2.75
    HBond donors 2
    HBond acceptors 9
    Atoms 62
    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 canSAR558586.