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canSAR550638
FEATURES
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NAMES
    SMILES
    COC1OC(COS(=O)(=O)[O-])C(OC2OC(C(=O)[O-])C(OC3OC(COS(=O)(=O)[O-])C(OC4OC(C(=O)[O-])C(OC5OC(COS(=O)(=O)[O-])C(O)C(O)C5NS(=O)(=O)[O-])C(O)C4O)C(OS(=O)(=O)[O-])C3NS(=O)(=O)[O-])C(O)C2OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C1NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C31H53N3O52S9.9Na/c1-71-27-9(33-88(47,48)49)18(84-93(62,63)64)17(6(76-27)3-73-91(56,57)58)79-31-22(86-95(68,69)70)15(39)21(24(83-31)26(42)43)81-29-10(34-89(50,51)52)19(85-94(65,66)67)16(7(77-29)4-74-92(59,60)61)78-30-14(38)13(37)20(23(82-30)25(40)41)80-28-8(32-87(44,45)46)12(36)11(35)5(75-28)2-72-90(53,54)55;;;;;;;;;/h5-24,27-39H,2-4H2,1H3,(H,40,41)(H,42,43)(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70);;;;;;;;;/q;9*+1/p-11
    MOLECULAR FORMULA
    C31H42N3Na9O52S9-2
    CROSS REFERENCES
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    canSAR550638

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1782.73
    AlogP -46.64
    HBond donors 8
    HBond acceptors 55
    Atoms 146
    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 canSAR550638.