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canSAR78586
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@](O)(CN3CCOCC3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)CN[C@H](C)[C@@H](O)[C@]1(C)O
    InChI
    InChI=1S/C42H79N3O13/c1-14-31-41(10,50)35(47)28(6)43-22-24(2)20-39(8,49)36(58-38-33(46)30(44(11)12)19-25(3)54-38)26(4)34(27(5)37(48)56-31)57-32-21-40(9,52-13)42(51,29(7)55-32)23-45-15-17-53-18-16-45/h24-36,38,43,46-47,49-51H,14-23H2,1-13H3/t24-,25-,26+,27-,28-,29+,30+,31-,32+,33-,34+,35-,36-,38+,39-,40-,41-,42-/m1/s1
    MOLECULAR FORMULA
    C42H79N3O13
    CROSS REFERENCES
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    canSAR78586

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 833.56
    AlogP 1.26
    HBond donors 6
    HBond acceptors 16
    Atoms 137
    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 canSAR78586.