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canSAR1987908
FEATURES
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NAMES
    SMILES
    O=C(O)C1OC(Oc2cc3oc(-c4ccccc4)cc(=O)c3c(O)c2O)C(O)C(O)C1O
    InChI
    InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)
    MOLECULAR FORMULA
    C21H18O11
    CROSS REFERENCES
    1987908 logo

    canSAR1987908

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 446.08
    AlogP 0.14
    HBond donors 6
    HBond acceptors 11
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1987908.