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canSAR1129897
FEATURES
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NAMES
    SMILES
    CCC(CC)NC(=O)c1ccccc1Nc1ncnc(Nc2ccc(CN)cc2)n1
    InChI
    InChI=1S/C22H27N7O/c1-3-16(4-2)26-20(30)18-7-5-6-8-19(18)28-22-25-14-24-21(29-22)27-17-11-9-15(13-23)10-12-17/h5-12,14,16H,3-4,13,23H2,1-2H3,(H,26,30)(H2,24,25,27,28,29)
    MOLECULAR FORMULA
    C22H27N7O
    CROSS REFERENCES
    1129897 logo

    canSAR1129897

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 405.23
    AlogP 3.74
    HBond donors 5
    HBond acceptors 8
    Atoms 57
    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 canSAR1129897.