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canSAR153065
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NAMES
    SMILES
    Cn1cncc1CN1CC(N(CCC2(C)OCC(C)(C)CO2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21
    InChI
    InChI=1S/C29H36N6O4S/c1-28(2)19-38-29(3,39-20-28)10-12-35(40(36,37)27-7-5-6-11-32-27)24-14-23-13-22(15-30)8-9-26(23)34(17-24)18-25-16-31-21-33(25)4/h5-9,11,13,16,21,24H,10,12,14,17-20H2,1-4H3
    MOLECULAR FORMULA
    C29H36N6O4S
    CROSS REFERENCES
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    canSAR153065

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 564.25
    AlogP 3.49
    HBond donors 0
    HBond acceptors 10
    Atoms 76
    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 canSAR153065.