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canSAR2096085
FEATURES
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NAMES
    SMILES
    Cc1ccc(S(=O)(=O)N2CC3(C[C@H]2C(=O)N/N=C/c2ccccc2F)SCCS3)cc1
    InChI
    InChI=1S/C21H22FN3O3S3/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
    C21H22FN3O3S3
    CROSS REFERENCES
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    canSAR2096085

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 479.08
    AlogP 3.22
    HBond donors 1
    HBond acceptors 6
    Atoms 53
    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 canSAR2096085.