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canSAR465899
FEATURES
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NAMES
    SMILES
    COc1ccc(/C=C/C(=O)c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1OC
    InChI
    InChI=1S/C20H18N2O5/c1-13-20(22(25)16-7-5-4-6-15(16)21(13)24)17(23)10-8-14-9-11-18(26-2)19(12-14)27-3/h4-12H,1-3H3/b10-8+
    MOLECULAR FORMULA
    C20H18N2O5
    CROSS REFERENCES
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    canSAR465899

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 366.12
    AlogP 2.33
    HBond donors 0
    HBond acceptors 7
    Atoms 45
    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 canSAR465899.