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canSAR1592116
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NAMES
    SMILES
    Cc1nn(-c2cccc3ccccc23)c(O)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C22H17N5O4/c1-14-19(13-23-24-21(28)16-8-4-9-17(12-16)27(30)31)22(29)26(25-14)20-11-5-7-15-6-2-3-10-18(15)20/h2-13,29H,1H3,(H,24,28)/b23-13+
    MOLECULAR FORMULA
    C22H17N5O4
    CROSS REFERENCES
    1592116 logo

    canSAR1592116

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 415.13
    AlogP 3.71
    HBond donors 2
    HBond acceptors 9
    Atoms 48
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1592116.