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canSAR782633
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NAMES
    SMILES
    OC(CNC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1)COc1cccc(OC(F)(F)F)c1
    InChI
    InChI=1S/C27H27F3N4O3S/c28-27(29,30)37-22-8-4-7-21(13-22)36-15-20(35)14-31-19-9-11-34(12-10-19)25-24-23(18-5-2-1-3-6-18)16-38-26(24)33-17-32-25/h1-8,13,16-17,19-20,31,35H,9-12,14-15H2
    MOLECULAR FORMULA
    C27H27F3N4O3S
    CROSS REFERENCES
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    canSAR782633

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 544.18
    AlogP 5.26
    HBond donors 2
    HBond acceptors 7
    Atoms 65
    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 canSAR782633.