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canSAR1124667
FEATURES
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NAMES
    SMILES
    CC(C)CNC(=O)c1c(N)sc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1
    InChI
    InChI=1S/C21H20Cl2N2OS/c1-12(2)11-25-21(26)18-17(13-3-7-15(22)8-4-13)19(27-20(18)24)14-5-9-16(23)10-6-14/h3-10,12H,11,24H2,1-2H3,(H,25,26)
    MOLECULAR FORMULA
    C21H20Cl2N2OS
    CROSS REFERENCES
    1124667 logo

    canSAR1124667

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.07
    AlogP 6.36
    HBond donors 3
    HBond acceptors 3
    Atoms 47
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1124667.