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canSAR658521
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NAMES
    SMILES
    C=Cc1cc(CNC(=S)CCc2ccc(C(C)(C)C)cc2)ccc1NS(C)(=O)=O
    InChI
    InChI=1S/C23H30N2O2S2/c1-6-19-15-18(9-13-21(19)25-29(5,26)27)16-24-22(28)14-10-17-7-11-20(12-8-17)23(2,3)4/h6-9,11-13,15,25H,1,10,14,16H2,2-5H3,(H,24,28)
    MOLECULAR FORMULA
    C23H30N2O2S2
    CROSS REFERENCES
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    canSAR658521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 430.17
    AlogP 5.05
    HBond donors 2
    HBond acceptors 4
    Atoms 59
    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 canSAR658521.