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canSAR101309
FEATURES
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NAMES
    SMILES
    CCCOC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](OC(C)=O)C3=C(C)[C@@H](OC(=O)[C@H](O)C(NC(=O)OC(C)(C)C)c4ccco4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)C12)C3(C)C
    InChI
    InChI=1S/C45H57NO17/c1-10-18-57-40(54)63-44-22-58-29(44)20-28(48)43(9)34(44)36(61-37(51)25-15-12-11-13-16-25)45(55)21-27(23(2)30(42(45,7)8)33(35(43)50)59-24(3)47)60-38(52)32(49)31(26-17-14-19-56-26)46-39(53)62-41(4,5)6/h11-17,19,27-29,31-34,36,48-49,55H,10,18,20-22H2,1-9H3,(H,46,53)/t27-,28-,29+,31?,32+,33+,34?,36-,43+,44-,45+/m0/s1
    MOLECULAR FORMULA
    C45H57NO17
    CROSS REFERENCES
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    canSAR101309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 883.36
    AlogP 4.42
    HBond donors 4
    HBond acceptors 18
    Atoms 120
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR101309.