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canSAR2083899
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NAMES
    SMILES
    COc1c(O)c2c3c(c1O)C(=O)[C@@]1(O)C(=C3C(C)=CC2=O)O[C@H](C)C1(C)C
    InChI
    InChI=1S/C20H20O7/c1-7-6-9(21)11-12-10(7)18-20(25,19(3,4)8(2)27-18)17(24)13(12)15(23)16(26-5)14(11)22/h6,8,22-23,25H,1-5H3/t8-,20-/m1/s1
    MOLECULAR FORMULA
    C20H20O7
    CROSS REFERENCES
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    canSAR2083899

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 372.12
    AlogP 2.33
    HBond donors 3
    HBond acceptors 7
    Atoms 47
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2083899.