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canSAR777297
FEATURES
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NAMES
    SMILES
    CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C
    InChI
    InChI=1S/C52H83ClN2O13/c1-14-39-52(10)44(55(49(60)68-52)25-24-35-20-22-36(53)23-21-35)31(4)41(56)29(2)27-51(9,62-13)46(67-48-42(57)38(26-30(3)63-48)54(11)37-18-16-15-17-19-37)32(5)43(33(6)47(59)65-39)66-40-28-50(8,61-12)45(58)34(7)64-40/h20-23,29-34,37-40,42-46,48,57-58H,14-19,24-28H2,1-13H3/t29-,30-,31+,32+,33-,34+,38+,39-,40?,42-,43+,44-,45+,46-,48?,50-,51+,52-/m1/s1
    MOLECULAR FORMULA
    C52H83ClN2O13
    CROSS REFERENCES
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    canSAR777297

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 978.56
    AlogP 7.51
    HBond donors 2
    HBond acceptors 15
    Atoms 151
    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 canSAR777297.