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canSAR1616986
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NAMES
    SMILES
    CCOC(=O)c1cc2cc(-c3nc(C(=O)NCc4ccncc4)[nH]c3C)ncc2[nH]1
    InChI
    InChI=1S/C21H20N6O3/c1-3-30-21(29)16-9-14-8-15(23-11-17(14)26-16)18-12(2)25-19(27-18)20(28)24-10-13-4-6-22-7-5-13/h4-9,11,26H,3,10H2,1-2H3,(H,24,28)(H,25,27)
    MOLECULAR FORMULA
    C21H20N6O3
    CROSS REFERENCES
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    canSAR1616986

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.16
    AlogP 2.76
    HBond donors 3
    HBond acceptors 9
    Atoms 50
    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 canSAR1616986.