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canSAR828485
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)CCCc3ccccc3[C@H](NC(=O)OC(C)(C)C)[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/C47H57NO15/c1-24-29-22-47(57)39(61-40(54)27-16-10-9-11-17-27)37-45(8,38(53)36(59-25(2)49)33(24)44(47,6)7)30(50)21-31-46(37,23-58-31)62-32(51)20-14-18-26-15-12-13-19-28(26)34(35(52)41(55)60-29)48-42(56)63-43(3,4)5/h9-13,15-17,19,29-31,34-37,39,50,52,57H,14,18,20-23H2,1-8H3,(H,48,56)/t29-,30-,31+,34?,35+,36+,37-,39-,45+,46-,47+/m0/s1
    MOLECULAR FORMULA
    C47H57NO15
    CROSS REFERENCES
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    canSAR828485

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 875.37
    AlogP 4.15
    HBond donors 4
    HBond acceptors 16
    Atoms 120
    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 canSAR828485.