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canSAR831338
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NAMES
    SMILES
    Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ccc(C#N)cc2)CC2CC2)c1
    InChI
    InChI=1S/C22H27N7O2S/c1-26-15-22(25-17-26)32(30,31)29(13-19-3-4-19)10-9-28(14-21-12-24-16-27(21)2)20-7-5-18(11-23)6-8-20/h5-8,12,15-17,19H,3-4,9-10,13-14H2,1-2H3
    MOLECULAR FORMULA
    C22H27N7O2S
    CROSS REFERENCES
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    canSAR831338

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.19
    AlogP 2.13
    HBond donors 0
    HBond acceptors 9
    Atoms 59
    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 canSAR831338.