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canSAR1068117
FEATURES
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NAMES
    SMILES
    CC[C@@H](C(=O)[C@@H](C)[C@@H](O)[C@H](C)[C@@H]1O[C@@H]([C@@H](CC)C(=O)Nc2ccc3c(c2)OCCOCCOCCOCCO3)CC[C@@H]1C)[C@H]1O[C@]2(C=C[C@@H](O)[C@]3(CC[C@@](C)([C@H]4CC[C@](O)(CC)[C@H](C)O4)O3)O2)[C@H](C)C[C@@H]1C
    InChI
    InChI=1S/C56H89NO15/c1-11-41(52(61)57-40-15-17-44-45(33-40)67-31-29-65-27-25-63-24-26-64-28-30-66-44)43-16-14-34(4)50(69-43)38(8)48(59)37(7)49(60)42(12-2)51-35(5)32-36(6)55(70-51)21-18-46(58)56(72-55)23-22-53(10,71-56)47-19-20-54(62,13-3)39(9)68-47/h15,17-18,21,33-39,41-43,46-48,50-51,58-59,62H,11-14,16,19-20,22-32H2,1-10H3,(H,57,61)/t34-,35-,36+,37-,38-,39-,41+,42-,43+,46+,47+,48+,50+,51-,53-,54+,55-,56-/m0/s1
    MOLECULAR FORMULA
    C56H89NO15
    CROSS REFERENCES
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    canSAR1068117

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1015.62
    AlogP 7.56
    HBond donors 4
    HBond acceptors 16
    Atoms 161
    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 canSAR1068117.