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canSAR1129814
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NAMES
    SMILES
    Cn1c(N2CCOCC2)nc(-c2ccc([N+](=O)[O-])cc2)c(C#N)c1=O
    InChI
    InChI=1S/C16H15N5O4/c1-19-15(22)13(10-17)14(11-2-4-12(5-3-11)21(23)24)18-16(19)20-6-8-25-9-7-20/h2-5H,6-9H2,1H3
    MOLECULAR FORMULA
    C16H15N5O4
    CROSS REFERENCES
    1129814 logo

    canSAR1129814

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 341.11
    AlogP 1.06
    HBond donors 0
    HBond acceptors 9
    Atoms 40
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1129814.