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canSAR1498335
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NAMES
    SMILES
    CCOc1ccc(-c2c(C(=O)NN=C(C)c3ccncc3)nnn2-c2nonc2N)cc1
    InChI
    InChI=1S/C20H19N9O3/c1-3-31-15-6-4-14(5-7-15)17-16(24-28-29(17)19-18(21)26-32-27-19)20(30)25-23-12(2)13-8-10-22-11-9-13/h4-11H,3H2,1-2H3,(H2,21,26)(H,25,30)
    MOLECULAR FORMULA
    C20H19N9O3
    CROSS REFERENCES
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    canSAR1498335

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.16
    AlogP 1.85
    HBond donors 3
    HBond acceptors 12
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1498335.