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canSAR990462
FEATURES
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NAMES
    SMILES
    CCOc1ccc(C(=O)OC[C@H]2O[C@@H](Oc3c(-c4ccc(O)c(O)c4)oc4cc(O)cc(O)c4c3=O)[C@H](OC(=O)c3ccc(OCC)cc3)[C@@H](O)[C@H]2O)cc1
    InChI
    InChI=1S/C39H36O16/c1-3-49-23-10-5-19(6-11-23)37(47)51-18-29-31(44)33(46)36(54-38(48)20-7-12-24(13-8-20)50-4-2)39(53-29)55-35-32(45)30-27(43)16-22(40)17-28(30)52-34(35)21-9-14-25(41)26(42)15-21/h5-17,29,31,33,36,39-44,46H,3-4,18H2,1-2H3/t29-,31+,33+,36-,39+/m1/s1
    MOLECULAR FORMULA
    C39H36O16
    CROSS REFERENCES
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    canSAR990462

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 760.20
    AlogP 3.99
    HBond donors 6
    HBond acceptors 16
    Atoms 91
    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 canSAR990462.