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canSAR1716256
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NAMES
    SMILES
    Cc1ccc(NC(=O)CSCC(=O)OC(C)C(=O)Nc2ccc(S(N)(=O)=O)cc2)c(C)c1
    InChI
    InChI=1S/C21H25N3O6S2/c1-13-4-9-18(14(2)10-13)24-19(25)11-31-12-20(26)30-15(3)21(27)23-16-5-7-17(8-6-16)32(22,28)29/h4-10,15H,11-12H2,1-3H3,(H,23,27)(H,24,25)(H2,22,28,29)
    MOLECULAR FORMULA
    C21H25N3O6S2
    CROSS REFERENCES
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    canSAR1716256

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.12
    AlogP 2.19
    HBond donors 4
    HBond acceptors 9
    Atoms 57
    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 canSAR1716256.