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canSAR1765431
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NAMES
    SMILES
    COc1ccccc1Oc1c(C)oc2c(CN3CCN(CCO)CC3)c(O)ccc2c1=O
    InChI
    InChI=1S/C24H28N2O6/c1-16-23(32-21-6-4-3-5-20(21)30-2)22(29)17-7-8-19(28)18(24(17)31-16)15-26-11-9-25(10-12-26)13-14-27/h3-8,27-28H,9-15H2,1-2H3
    MOLECULAR FORMULA
    C24H28N2O6
    CROSS REFERENCES
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    canSAR1765431

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.19
    AlogP 2.72
    HBond donors 2
    HBond acceptors 8
    Atoms 60
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1765431.