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canSAR1205535
FEATURES
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NAMES
    SMILES
    CCOCC1COc2c(cc3[nH]cc(C(=O)OCC)c(=O)c3c2[N+](=O)[O-])O1
    InChI
    InChI=1S/C17H18N2O8/c1-3-24-7-9-8-26-16-12(27-9)5-11-13(14(16)19(22)23)15(20)10(6-18-11)17(21)25-4-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,18,20)
    MOLECULAR FORMULA
    C17H18N2O8
    CROSS REFERENCES
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    canSAR1205535

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.11
    AlogP 1.79
    HBond donors 1
    HBond acceptors 10
    Atoms 45
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1205535.