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canSAR561078
FEATURES
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NAMES
    SMILES
    O=S(=O)([O-])OCC1O[C@H]2O[C@@H]3C(COS(=O)(=O)[O-])O[C@H](O[C@@H]4C(COS(=O)(=O)[O-])O[C@H](O[C@@H]5C(COS(=O)(=O)[O-])O[C@H](O[C@@H]6C(COS(=O)(=O)[O-])O[C@@H](O[C@@H]7C(COS(=O)(=O)[O-])O[C@H](O[C@@H]8C(COS(=O)(=O)[O-])O[C@H](O[C@H]1C(OS(=O)(=O)[O-])C2O)C(OCc1ccccc1)C8OS(=O)(=O)[O-])C(O)C7OS(=O)(=O)[O-])C(OCc1ccccc1)C6OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C5OS(=O)(=O)[O-])C(OCc1ccccc1)C4OS(=O)(=O)[O-])C(OS(=O)(=O)[O-])C3OS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C63H88O83S16.16Na/c64-36-45(138-154(87,88)89)38-29(19-117-147(66,67)68)124-57(36)131-40-31(21-119-149(72,73)74)126-59(52(47(40)140-156(93,94)95)114-16-26-10-4-1-5-11-26)133-39-30(20-118-148(69,70)71)125-58(37(65)46(39)139-155(90,91)92)132-43-34(24-122-152(81,82)83)129-62(55(145-161(108,109)110)50(43)143-159(102,103)104)136-42-33(23-121-151(78,79)80)128-61(54(49(42)142-158(99,100)101)116-18-28-14-8-3-9-15-28)135-44-35(25-123-153(84,85)86)130-63(56(146-162(111,112)113)51(44)144-160(105,106)107)137-41-32(22-120-150(75,76)77)127-60(134-38)53(48(41)141-157(96,97)98)115-17-27-12-6-2-7-13-27;;;;;;;;;;;;;;;;/h1-15,29-65H,16-25H2,(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H,93,94,95)(H,96,97,98)(H,99,100,101)(H,102,103,104)(H,105,106,107)(H,108,109,110)(H,111,112,113);;;;;;;;;;;;;;;;/q;16*+1/p-16/t29?,30?,31?,32?,33?,34?,35?,36?,37?,38-,39-,40-,41-,42-,43-,44-,45?,46?,47?,48?,49?,50?,51?,52?,53?,54?,55?,56?,57-,58+,59-,60+,61-,62-,63-;;;;;;;;;;;;;;;;/m1................/s1
    MOLECULAR FORMULA
    C63H72Na16O83S16
    CROSS REFERENCES
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    canSAR561078

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 3035.53
    AlogP -64.74
    HBond donors 2
    HBond acceptors 83
    Atoms 250
    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 canSAR561078.