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canSAR1998096
FEATURES
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NAMES
    SMILES
    COc1cccc(Nc2ncc(C#N)c(N)n2)c1
    InChI
    InChI=1S/C12H11N5O/c1-18-10-4-2-3-9(5-10)16-12-15-7-8(6-13)11(14)17-12/h2-5,7H,1H3,(H3,14,15,16,17)
    MOLECULAR FORMULA
    C12H11N5O
    CROSS REFERENCES
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    canSAR1998096

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 241.10
    AlogP 1.68
    HBond donors 3
    HBond acceptors 6
    Atoms 29
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1998096.