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canSAR1827781
FEATURES
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NAMES
    SMILES
    COc1c(C=C2C(=O)NC(=O)NC2=O)c(CCN(C)C(=O)c2ccccc2)cc2c1OCO2
    InChI
    InChI=1S/C23H21N3O7/c1-26(22(29)13-6-4-3-5-7-13)9-8-14-10-17-19(33-12-32-17)18(31-2)15(14)11-16-20(27)24-23(30)25-21(16)28/h3-7,10-11H,8-9,12H2,1-2H3,(H2,24,25,27,28,30)
    MOLECULAR FORMULA
    C23H21N3O7
    CROSS REFERENCES
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    canSAR1827781

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.14
    AlogP 1.49
    HBond donors 2
    HBond acceptors 10
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1827781.