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canSAR1829065
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NAMES
    SMILES
    COc1cc(OC)cc(C(=O)OCC(=O)c2cc(C)n(CC3CCCO3)c2C)c1
    InChI
    InChI=1S/C22H27NO6/c1-14-8-20(15(2)23(14)12-17-6-5-7-28-17)21(24)13-29-22(25)16-9-18(26-3)11-19(10-16)27-4/h8-11,17H,5-7,12-13H2,1-4H3
    MOLECULAR FORMULA
    C22H27NO6
    CROSS REFERENCES
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    canSAR1829065

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.18
    AlogP 3.34
    HBond donors 0
    HBond acceptors 7
    Atoms 56
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1829065.