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canSAR1715092
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NAMES
    SMILES
    CC(C)(O)[C@@H]1Cc2cc3c(cc2O1)oc1c2ccc(O)cc2oc(=O)c31
    InChI
    InChI=1S/C20H16O6/c1-20(2,23)16-6-9-5-12-15(8-13(9)24-16)25-18-11-4-3-10(21)7-14(11)26-19(22)17(12)18/h3-5,7-8,16,21,23H,6H2,1-2H3/t16-/m0/s1
    MOLECULAR FORMULA
    C20H16O6
    CROSS REFERENCES
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    canSAR1715092

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 352.09
    AlogP 3.47
    HBond donors 2
    HBond acceptors 6
    Atoms 42
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1715092.