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canSAR930179
FEATURES
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NAMES
    SMILES
    [N-]=[N+]=NC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CN=[N+]=[N-])O[C@H](O[C@@H]4[C@@H](CN=[N+]=[N-])O[C@H](O[C@@H]5[C@@H](CN=[N+]=[N-])O[C@H](O[C@@H]6[C@@H](C/N=[NH+]\[NH-])O[C@H](O[C@@H]7[C@@H](CN=[N+]=[N-])O[C@H](O[C@@H]8[C@@H](CN=[N+]=[N-])O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
    InChI
    InChI=1S/C42H65N21O28/c43-57-50-1-8-29-15(64)22(71)36(78-8)86-30-9(2-51-58-44)80-38(24(73)17(30)66)88-32-11(4-53-60-46)82-40(26(75)19(32)68)90-34-13(6-55-62-48)84-42(28(77)21(34)70)91-35-14(7-56-63-49)83-41(27(76)20(35)69)89-33-12(5-54-61-47)81-39(25(74)18(33)67)87-31-10(3-52-59-45)79-37(85-29)23(72)16(31)65/h8-42,57,64-77H,1-7H2,(H-,43,50)/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
    MOLECULAR FORMULA
    C42H65N21O28
    CROSS REFERENCES
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    canSAR930179

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1311.43
    AlogP -7.81
    HBond donors 16
    HBond acceptors 49
    Atoms 156
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR930179.