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canSAR1444016
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NAMES
    SMILES
    CNC(=O)c1c(C(N)=O)nc2n1CCOc1ccc(C#CC3(O)CCC3)cc1-2
    InChI
    InChI=1S/C20H20N4O4/c1-22-19(26)16-15(17(21)25)23-18-13-11-12(5-8-20(27)6-2-7-20)3-4-14(13)28-10-9-24(16)18/h3-4,11,27H,2,6-7,9-10H2,1H3,(H2,21,25)(H,22,26)
    MOLECULAR FORMULA
    C20H20N4O4
    CROSS REFERENCES
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    canSAR1444016

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.15
    AlogP 0.67
    HBond donors 4
    HBond acceptors 8
    Atoms 48
    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 canSAR1444016.