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canSAR1429806
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C20H20N2O7/c1-4-28-20(25)19-13(3)21-12(2)18(19)16(23)11-29-17(24)9-8-14-6-5-7-15(10-14)22(26)27/h5-10,21H,4,11H2,1-3H3/b9-8+
    MOLECULAR FORMULA
    C20H20N2O7
    CROSS REFERENCES
    1429806 logo

    canSAR1429806

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.13
    AlogP 3.16
    HBond donors 1
    HBond acceptors 9
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1429806.