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canSAR500513
FEATURES
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NAMES
    SMILES
    CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CSc3nnnn3CC(=O)O)CS(=O)(=O)C12
    InChI
    InChI=1S/C16H21N5O8S2/c1-16(2,3)29-14(25)10-8(6-30-15-17-18-19-20(15)5-9(22)23)7-31(26,27)13-11(28-4)12(24)21(10)13/h11,13H,5-7H2,1-4H3,(H,22,23)/t11-,13?/m0/s1
    MOLECULAR FORMULA
    C16H21N5O8S2
    CROSS REFERENCES
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    canSAR500513

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 475.08
    AlogP -0.94
    HBond donors 1
    HBond acceptors 13
    Atoms 52
    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 canSAR500513.