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canSAR83579
FEATURES
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NAMES
    SMILES
    CC(=O)O[C@H]1C(=O)[C@]2(C)[C@@H](O)CC3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccoc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C
    InChI
    InChI=1S/C45H49NO15/c1-23-29(59-41(54)34(50)33(26-13-9-7-10-14-26)46-39(52)27-15-11-8-12-16-27)20-45(55)38(60-40(53)28-17-18-56-21-28)36-43(6,30(49)19-31-44(36,22-57-31)61-25(3)48)37(51)35(58-24(2)47)32(23)42(45,4)5/h7-18,21,29-31,33-36,38,49-50,55H,19-20,22H2,1-6H3,(H,46,52)/t29-,30-,31?,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
    MOLECULAR FORMULA
    C45H49NO15
    CROSS REFERENCES
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    canSAR83579

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 843.31
    AlogP 3.33
    HBond donors 4
    HBond acceptors 16
    Atoms 110
    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 canSAR83579.