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canSAR990749
FEATURES
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NAMES
    SMILES
    C[C@@H]1Cc2ccccc2S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1
    InChI
    InChI=1S/C25H34N2O5S/c1-18-14-20-12-8-9-13-23(20)33(30,31)27(16-18)17-22(28)21(15-19-10-6-5-7-11-19)26-24(29)32-25(2,3)4/h5-13,18,21-22,28H,14-17H2,1-4H3,(H,26,29)/t18-,21+,22-/m1/s1
    MOLECULAR FORMULA
    C25H34N2O5S
    CROSS REFERENCES
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    canSAR990749

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.22
    AlogP 3.37
    HBond donors 2
    HBond acceptors 7
    Atoms 67
    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 canSAR990749.