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canSAR784066
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NAMES
    SMILES
    CC(=O)O[C@@H]1C2=C(C)C(=O)C[C@@H]([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@]4(O)CO[C@@H]4CC[C@@]3(C)[C@H]1OC(C)=O)C2(C)C
    InChI
    InChI=1S/C31H38O9/c1-16-21(34)14-20-24(40-28(35)19-10-8-7-9-11-19)26-30(6,13-12-22-31(26,36)15-37-22)27(39-18(3)33)25(38-17(2)32)23(16)29(20,4)5/h7-11,20,22,24-27,36H,12-15H2,1-6H3/t20-,22+,24+,25+,26-,27-,30+,31-/m0/s1
    MOLECULAR FORMULA
    C31H38O9
    CROSS REFERENCES
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    canSAR784066

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 554.25
    AlogP 3.57
    HBond donors 1
    HBond acceptors 9
    Atoms 78
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR784066.