canSAR2094120
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)N/N=C/c2ccccc2Br)SCCS3)cc1
    InChI
    InChI=1S/C21H22BrN3O3S3/c1-15-6-8-17(9-7-15)31(27,28)25-14-21(29-10-11-30-21)12-19(25)20(26)24-23-13-16-4-2-3-5-18(16)22/h2-9,13,19H,10-12,14H2,1H3,(H,24,26)/b23-13+/t19-/m0/s1
    MOLECULAR FORMULA
    C21H22BrN3O3S3
    CROSS REFERENCES
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    canSAR2094120
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight539.00
    AlogP3.85
    HBond donors1
    HBond acceptors6
    Atoms53
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2094120.