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canSAR1012446
FEATURES
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NAMES
    SMILES
    O=C(O[C@@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1cc(O)cc(O)c1)c1cc(O)c(O)c(O)c1
    InChI
    InChI=1S/C22H18O10/c23-11-1-9(2-12(24)5-11)21-19(8-14-15(26)6-13(25)7-18(14)31-21)32-22(30)10-3-16(27)20(29)17(28)4-10/h1-7,19,21,23-29H,8H2/t19-,21-/m1/s1
    MOLECULAR FORMULA
    C22H18O10
    CROSS REFERENCES
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    canSAR1012446

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 442.09
    AlogP 2.53
    HBond donors 7
    HBond acceptors 10
    Atoms 50
    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 canSAR1012446.