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canSAR1594054
FEATURES
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NAMES
    SMILES
    COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@H]3OC1CC(N(C)CCOCC(OC(C)=O)OC(C)=O)C(O)C(C)O1
    InChI
    InChI=1S/C36H43NO16/c1-16-31(42)21(37(4)9-10-49-15-26(51-17(2)39)52-18(3)40)11-25(50-16)53-23-13-36(47,24(41)14-38)12-20-28(23)35(46)30-29(33(20)44)32(43)19-7-6-8-22(48-5)27(19)34(30)45/h6-8,16,21,23,25-26,31,38,42,44,46-47H,9-15H2,1-5H3/t16?,21?,23-,25?,31?,36+/m1/s1
    MOLECULAR FORMULA
    C36H43NO16
    CROSS REFERENCES
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    canSAR1594054

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 745.26
    AlogP 0.44
    HBond donors 5
    HBond acceptors 17
    Atoms 96
    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 canSAR1594054.