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canSAR1593661
FEATURES
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NAMES
    SMILES
    CC1O[C@@H](Oc2c(-c3ccc(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)C(O)C(O)C1O
    InChI
    InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7?,15?,17?,18?,21-/m0/s1
    MOLECULAR FORMULA
    C21H20O11
    CROSS REFERENCES
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    canSAR1593661

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.10
    AlogP 0.49
    HBond donors 7
    HBond acceptors 11
    Atoms 52
    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 canSAR1593661.