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canSAR551486
FEATURES
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NAMES
    SMILES
    CC(=O)NC1C(O)CC(OCC2OC(Oc3ccccc3[N+](=O)[O-])C(NC(C)=O)C(OC3OC(COS(=O)(=O)[O-])C(O)C(O)C3O)C2O)(C(=O)[O-])OC1C(O)C(O)CO.[Na+].[Na+]
    InChI
    InChI=1S/C31H45N3O24S.2Na/c1-11(36)32-19-14(38)7-31(30(45)46,58-27(19)21(40)15(39)8-35)52-9-17-23(42)26(57-29-25(44)24(43)22(41)18(56-29)10-53-59(49,50)51)20(33-12(2)37)28(55-17)54-16-6-4-3-5-13(16)34(47)48;;/h3-6,14-15,17-29,35,38-44H,7-10H2,1-2H3,(H,32,36)(H,33,37)(H,45,46)(H,49,50,51);;/q;2*+1/p-2
    MOLECULAR FORMULA
    C31H43N3Na2O24S
    CROSS REFERENCES
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    canSAR551486

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 919.18
    AlogP -13.93
    HBond donors 10
    HBond acceptors 27
    Atoms 104
    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 canSAR551486.