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canSAR55025
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NAMES
    SMILES
    CSc1ccc(C(=O)NC2CC(NC(=O)OCc3ccccc3)CCC2NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)cc1
    InChI
    InChI=1S/C32H33F3N4O5S/c1-45-25-13-10-21(11-14-25)30(42)39-27-17-24(37-31(43)44-19-20-6-3-2-4-7-20)12-15-26(27)38-28(40)18-36-29(41)22-8-5-9-23(16-22)32(33,34)35/h2-11,13-14,16,24,26-27H,12,15,17-19H2,1H3,(H,36,41)(H,37,43)(H,38,40)(H,39,42)
    MOLECULAR FORMULA
    C32H33F3N4O5S
    CROSS REFERENCES
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    canSAR55025

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 642.21
    AlogP 4.92
    HBond donors 4
    HBond acceptors 9
    Atoms 78
    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 canSAR55025.