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canSAR654014
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NAMES
    SMILES
    CC(C)(C)c1ccc(CCC(=S)NCc2ccc(NS(C)(=O)=O)c(C(=O)O)c2)cc1
    InChI
    InChI=1S/C22H28N2O4S2/c1-22(2,3)17-9-5-15(6-10-17)8-12-20(29)23-14-16-7-11-19(24-30(4,27)28)18(13-16)21(25)26/h5-7,9-11,13,24H,8,12,14H2,1-4H3,(H,23,29)(H,25,26)
    MOLECULAR FORMULA
    C22H28N2O4S2
    CROSS REFERENCES
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    canSAR654014

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 448.15
    AlogP 4.10
    HBond donors 3
    HBond acceptors 6
    Atoms 58
    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 canSAR654014.