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canSAR558345
FEATURES
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NAMES
    SMILES
    CCCCCCCCOC1OC(COCC(CO)(CO)COS(=O)(=O)[O-])C(O)C(OC2OC(C)C(O)C(O)C2O)C1NC(C)=O.[Na+]
    InChI
    InChI=1S/C27H51NO16S.Na/c1-4-5-6-7-8-9-10-40-25-19(28-17(3)31)24(44-26-23(35)22(34)20(32)16(2)42-26)21(33)18(43-25)11-39-14-27(12-29,13-30)15-41-45(36,37)38;/h16,18-26,29-30,32-35H,4-15H2,1-3H3,(H,28,31)(H,36,37,38);/q;+1/p-1
    MOLECULAR FORMULA
    C27H50NNaO16S
    CROSS REFERENCES
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    canSAR558345

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 699.27
    AlogP -5.36
    HBond donors 7
    HBond acceptors 17
    Atoms 96
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR558345.