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canSAR56511
FEATURES
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NAMES
    SMILES
    O=C(/C=C/c1ccc(O)cc1)O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)c(O)c(O)c1
    InChI
    InChI=1S/C24H20O9/c25-14-4-1-12(2-5-14)3-6-22(30)32-21-11-16-17(27)9-15(26)10-20(16)33-24(21)13-7-18(28)23(31)19(29)8-13/h1-10,21,24-29,31H,11H2/b6-3+/t21-,24-/m1/s1
    MOLECULAR FORMULA
    C24H20O9
    CROSS REFERENCES
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    canSAR56511

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.11
    AlogP 3.22
    HBond donors 6
    HBond acceptors 9
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR56511.