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canSAR834532
FEATURES
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NAMES
    SMILES
    CCC(=O)O[C@H]1C(=O)[C@@]2(C)C([C@H](OC(=O)c3cccc(OC)c3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)[C@H]4CC4(C)C)C(C)=C1C3(C)C)[C@]1(OC(C)=O)CO[C@@H]1C[C@@H]2O
    InChI
    InChI=1S/C46H63NO16/c1-13-30(50)60-34-31-22(2)27(59-39(54)33(51)32(26-19-42(26,7)8)47-40(55)63-41(4,5)6)20-46(56,43(31,9)10)37(61-38(53)24-15-14-16-25(17-24)57-12)35-44(11,36(34)52)28(49)18-29-45(35,21-58-29)62-23(3)48/h14-17,26-29,32-35,37,49,51,56H,13,18-21H2,1-12H3,(H,47,55)/t26-,27+,28+,29-,32+,33-,34-,35?,37+,44-,45+,46-/m1/s1
    MOLECULAR FORMULA
    C46H63NO16
    CROSS REFERENCES
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    canSAR834532

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 885.41
    AlogP 3.90
    HBond donors 4
    HBond acceptors 17
    Atoms 126
    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 canSAR834532.