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canSAR1129053
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NAMES
    SMILES
    CCOC(=O)CC(=N)N(NC(=O)CC#N)c1nc(-c2ccccc2)c(C#N)c(=O)n1C
    InChI
    InChI=1S/C20H19N7O4/c1-3-31-17(29)11-15(23)27(25-16(28)9-10-21)20-24-18(13-7-5-4-6-8-13)14(12-22)19(30)26(20)2/h4-8,23H,3,9,11H2,1-2H3,(H,25,28)
    MOLECULAR FORMULA
    C20H19N7O4
    CROSS REFERENCES
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    canSAR1129053

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.15
    AlogP 1.00
    HBond donors 2
    HBond acceptors 11
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1129053.