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canSAR782858
FEATURES
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NAMES
    SMILES
    C[C@H]1C(S[C@@H]2CCO[C@@H]2CNC(=O)CN)=C(C(=O)O)N2C(=O)[C@H]([C@@H](C)O)C12
    InChI
    InChI=1S/C17H25N3O6S/c1-7-13-12(8(2)21)16(23)20(13)14(17(24)25)15(7)27-10-3-4-26-9(10)6-19-11(22)5-18/h7-10,12-13,21H,3-6,18H2,1-2H3,(H,19,22)(H,24,25)/t7-,8-,9-,10-,12-,13?/m1/s1
    MOLECULAR FORMULA
    C17H25N3O6S
    CROSS REFERENCES
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    canSAR782858

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.15
    AlogP -0.89
    HBond donors 5
    HBond acceptors 9
    Atoms 52
    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 canSAR782858.