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canSAR1127395
FEATURES
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NAMES
    SMILES
    CN(C(=O)OCc1ccccc1)[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](NC(=O)OCc3ccccc3)[C@H](O)[C@H]2O)O[C@H]2C[C@@H](NC(=O)OCc3ccccc3)[C@@H](O[C@@H]3[C@@H](NC(=O)OCc4ccccc4)C[C@@H](NC(=O)OCc4ccccc4)[C@H](O)[C@H]3O)O[C@@H]2[C@@H]1O
    InChI
    InChI=1S/C61H71N5O21/c1-66(61(77)82-34-39-25-15-6-16-26-39)46-49(70)53-43(83-55(46)87-56-51(72)48(69)45(44(29-67)84-56)65-60(76)81-33-38-23-13-5-14-24-38)28-42(64-59(75)80-32-37-21-11-4-12-22-37)54(86-53)85-52-41(63-58(74)79-31-36-19-9-3-10-20-36)27-40(47(68)50(52)71)62-57(73)78-30-35-17-7-2-8-18-35/h2-26,40-56,67-72H,27-34H2,1H3,(H,62,73)(H,63,74)(H,64,75)(H,65,76)/t40-,41+,42-,43+,44-,45-,46+,47+,48+,49-,50-,51-,52-,53+,54+,55-,56-/m1/s1
    MOLECULAR FORMULA
    C61H71N5O21
    CROSS REFERENCES
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    canSAR1127395

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1209.46
    AlogP 2.97
    HBond donors 10
    HBond acceptors 26
    Atoms 158
    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 canSAR1127395.