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canSAR985026
FEATURES
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NAMES
    SMILES
    O=S(=O)(c1ccc(C(F)(F)F)cc1)N1C2CC[C@@H](c3ccccc3)C1c1cn[nH]c1C2
    InChI
    InChI=1S/C22H20F3N3O2S/c23-22(24,25)15-6-9-17(10-7-15)31(29,30)28-16-8-11-18(14-4-2-1-3-5-14)21(28)19-13-26-27-20(19)12-16/h1-7,9-10,13,16,18,21H,8,11-12H2,(H,26,27)/t16?,18-,21?/m0/s1
    MOLECULAR FORMULA
    C22H20F3N3O2S
    CROSS REFERENCES
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    canSAR985026

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 447.12
    AlogP 4.66
    HBond donors 1
    HBond acceptors 5
    Atoms 51
    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 canSAR985026.