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canSAR748106
FEATURES
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NAMES
    SMILES
    COC(=O)C(Cc1ccc(NS(=O)(=O)O)cc1)(Cc1ccc(C(=O)O)cc1)C(=O)OC.N
    InChI
    InChI=1S/C20H21NO9S.H3N/c1-29-18(24)20(19(25)30-2,11-13-3-7-15(8-4-13)17(22)23)12-14-5-9-16(10-6-14)21-31(26,27)28;/h3-10,21H,11-12H2,1-2H3,(H,22,23)(H,26,27,28);1H3
    MOLECULAR FORMULA
    C20H24N2O9S
    CROSS REFERENCES
    748106 logo

    canSAR748106

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.12
    AlogP 1.88
    HBond donors 6
    HBond acceptors 11
    Atoms 56
    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 canSAR748106.