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canSAR1619288
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NAMES
    SMILES
    O=C(c1cc(O)nc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1
    InChI
    InChI=1S/C20H18N4O4/c25-19-13-17(16-3-1-2-4-18(16)21-19)20(26)23-11-9-22(10-12-23)14-5-7-15(8-6-14)24(27)28/h1-8,13H,9-12H2,(H,21,25)
    MOLECULAR FORMULA
    C20H18N4O4
    CROSS REFERENCES
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    canSAR1619288

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.13
    AlogP 2.81
    HBond donors 1
    HBond acceptors 8
    Atoms 46
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1619288.