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canSAR782668
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@]12CC[C@](C)(C(=O)OC)C[C@H]1C1=CC[C@@H]3[C@@]4(C)C[C@H](O)[C@H](O[C@@H]5OC[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@@](C)(CO)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C52H77NO17/c1-47(46(64)66-7)17-19-52(45(63)53-30(42(62)65-6)21-27-11-9-8-10-12-27)20-18-50(4)28(29(52)22-47)13-14-35-48(2)23-31(56)41(49(3,26-55)34(48)15-16-51(35,50)5)70-43-39(60)37(58)33(25-67-43)69-44-40(61)38(59)36(57)32(24-54)68-44/h8-13,29-41,43-44,54-61H,14-26H2,1-7H3,(H,53,63)/t29-,30+,31-,32+,33+,34+,35+,36+,37-,38-,39+,40+,41-,43-,44-,47-,48-,49-,50+,51+,52-/m0/s1
    MOLECULAR FORMULA
    C52H77NO17
    CROSS REFERENCES
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    canSAR782668

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 987.52
    AlogP 1.43
    HBond donors 9
    HBond acceptors 18
    Atoms 147
    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 canSAR782668.