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canSAR846952
FEATURES
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NAMES
    SMILES
    COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(O)c1O
    InChI
    InChI=1S/C20H18O8/c1-25-15-3-8(2-12(21)19(15)23)16-9-4-13-14(28-7-27-13)5-10(9)18(22)11-6-26-20(24)17(11)16/h2-5,11,16-18,21-23H,6-7H2,1H3/t11-,16+,17-,18-/m0/s1
    MOLECULAR FORMULA
    C20H18O8
    CROSS REFERENCES
    846952 logo

    canSAR846952

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 386.10
    AlogP 1.80
    HBond donors 3
    HBond acceptors 8
    Atoms 46
    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 canSAR846952.