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canSAR2016294
FEATURES
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NAMES
    SMILES
    COc1ccc(NC(=O)COC(=O)/C=C/C(=O)OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1Cl
    InChI
    InChI=1S/C22H20Cl2N2O8/c1-31-17-5-3-13(9-15(17)23)25-19(27)11-33-21(29)7-8-22(30)34-12-20(28)26-14-4-6-18(32-2)16(24)10-14/h3-10H,11-12H2,1-2H3,(H,25,27)(H,26,28)/b8-7+
    MOLECULAR FORMULA
    C22H20Cl2N2O8
    CROSS REFERENCES
    2016294 logo

    canSAR2016294

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 510.06
    AlogP 3.23
    HBond donors 2
    HBond acceptors 10
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2016294.