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canSAR650780
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NAMES
    SMILES
    CCCS(=O)(=O)N1CC[C@H](N(Cc2ccccc2C(F)(F)F)c2ccc(C#N)c(Cl)c2)C1
    InChI
    InChI=1S/C22H23ClF3N3O2S/c1-2-11-32(30,31)28-10-9-19(15-28)29(18-8-7-16(13-27)21(23)12-18)14-17-5-3-4-6-20(17)22(24,25)26/h3-8,12,19H,2,9-11,14-15H2,1H3/t19-/m0/s1
    MOLECULAR FORMULA
    C22H23ClF3N3O2S
    CROSS REFERENCES
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    canSAR650780

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.12
    AlogP 5.05
    HBond donors 0
    HBond acceptors 5
    Atoms 55
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR650780.