canSAR1847007
FEATURES
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NAMES
    SMILES
    CCCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccccc2[N+](=O)[O-])cc1OCC
    InChI
    InChI=1S/C22H27N3O6/c1-4-7-12-21(26)23-16-13-20(31-6-3)17(14-19(16)30-5-2)24-22(27)15-10-8-9-11-18(15)25(28)29/h8-11,13-14H,4-7,12H2,1-3H3,(H,23,26)(H,24,27)
    MOLECULAR FORMULA
    C22H27N3O6
    CROSS REFERENCES
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    canSAR1847007
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight429.19
    AlogP4.77
    HBond donors2
    HBond acceptors9
    Atoms58
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1847007.