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canSAR833617
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)C[C@H]3OC[C@]34OC(=O)/C=C\COc3ccccc3[C@H](NC(=O)c3ccccc3)[C@@H](O)C(=O)O[C@H]3C[C@@](O)([C@@H](OC(=O)c5ccccc5)[C@@H]24)C(C)(C)C1=C3C
    InChI
    InChI=1S/C49H51NO15/c1-26-32-24-49(59)42(64-44(57)29-17-10-7-11-18-29)40-47(5,41(55)39(62-27(2)51)36(26)46(49,3)4)33(52)23-34-48(40,25-61-34)65-35(53)21-14-22-60-31-20-13-12-19-30(31)37(38(54)45(58)63-32)50-43(56)28-15-8-6-9-16-28/h6-21,32-34,37-40,42,52,54,59H,22-25H2,1-5H3,(H,50,56)/b21-14-/t32-,33-,34+,37?,38+,39+,40-,42-,47+,48-,49+/m0/s1
    MOLECULAR FORMULA
    C49H51NO15
    CROSS REFERENCES
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    canSAR833617

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 893.33
    AlogP 3.66
    HBond donors 4
    HBond acceptors 16
    Atoms 116
    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 canSAR833617.