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canSAR558882
FEATURES
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NAMES
    SMILES
    CC(C)(CC(=O)N(CCO[C@H]1O[C@@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-])CC(=O)NC1CCCCC1)CC(=O)N(CCO[C@H]1O[C@@H](COS(=O)(=O)[O-])[C@@H](OS(=O)(=O)[O-])[C@H](OS(=O)(=O)[O-])[C@H]1OS(=O)(=O)[O-])CC(=O)NC1CCCCC1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
    InChI
    InChI=1S/C39H68N4O40S8/c1-39(2,17-29(46)42(19-27(44)40-23-9-5-3-6-10-23)13-15-72-37-35(82-90(66,67)68)33(80-88(60,61)62)31(78-86(54,55)56)25(76-37)21-74-84(48,49)50)18-30(47)43(20-28(45)41-24-11-7-4-8-12-24)14-16-73-38-36(83-91(69,70)71)34(81-89(63,64)65)32(79-87(57,58)59)26(77-38)22-75-85(51,52)53/h23-26,31-38H,3-22H2,1-2H3,(H,40,44)(H,41,45)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)/p-8
    MOLECULAR FORMULA
    C39H60N4Na8O40S8
    CROSS REFERENCES
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    canSAR558882

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1663.97
    AlogP -31.11
    HBond donors 2
    HBond acceptors 44
    Atoms 159
    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 canSAR558882.