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canSAR835705
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NAMES
    SMILES
    O=S(=O)(CC(F)(F)F)NC[C@@H]1CCC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@@H]12
    InChI
    InChI=1S/C22H21ClF5NO5S2/c23-14-3-5-15(6-4-14)36(32,33)21-9-1-2-13(10-29-35(30,31)12-22(26,27)28)16(21)11-34-20-18(25)8-7-17(24)19(20)21/h3-8,13,16,29H,1-2,9-12H2/t13-,16-,21-/m0/s1
    MOLECULAR FORMULA
    C22H21ClF5NO5S2
    CROSS REFERENCES
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    canSAR835705

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.05
    AlogP 4.58
    HBond donors 1
    HBond acceptors 6
    Atoms 57
    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 canSAR835705.