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canSAR14086
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NAMES
    SMILES
    C[C@H](COc1ccc(/C=C2\SC(=S)N(CC(=O)O)C2=O)cc1O[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1
    InChI
    InChI=1S/C29H24F3NO5S2/c1-18(20-8-4-2-5-9-20)17-37-22-13-12-19(15-24-27(36)33(16-25(34)35)28(39)40-24)14-23(22)38-26(29(30,31)32)21-10-6-3-7-11-21/h2-15,18,26H,16-17H2,1H3,(H,34,35)/b24-15-/t18-,26+/m1/s1
    MOLECULAR FORMULA
    C29H24F3NO5S2
    CROSS REFERENCES
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    canSAR14086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.10
    AlogP 6.84
    HBond donors 1
    HBond acceptors 6
    Atoms 64
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR14086.