canSAR220112
FEATURES
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NAMES
    SMILES
    CSc1nnc([C@@H]2C[C@@H](S)CN2S(=O)(=O)c2ccc(C)cc2)n1-c1ccccc1
    InChI
    InChI=1S/C20H22N4O2S3/c1-14-8-10-17(11-9-14)29(25,26)23-13-16(27)12-18(23)19-21-22-20(28-2)24(19)15-6-4-3-5-7-15/h3-11,16,18,27H,12-13H2,1-2H3/t16-,18+/m1/s1
    MOLECULAR FORMULA
    C20H22N4O2S3
    CROSS REFERENCES
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    canSAR220112
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight446.09
    AlogP3.73
    HBond donors0
    HBond acceptors6
    Atoms51
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR220112.