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canSAR2279521
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NAMES
    SMILES
    CCOC(=O)C1=C(CN2CC(F)(F)C[C@H]2C(=O)O)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Br
    InChI
    InChI=1S/C22H20BrF3N4O4S/c1-2-34-21(33)16-14(9-30-10-22(25,26)8-15(30)20(31)32)28-18(19-27-5-6-35-19)29-17(16)12-4-3-11(24)7-13(12)23/h3-7,15,17H,2,8-10H2,1H3,(H,28,29)(H,31,32)/t15-,17-/m0/s1
    MOLECULAR FORMULA
    C22H20BrF3N4O4S
    CROSS REFERENCES
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    canSAR2279521

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 572.03
    AlogP 3.75
    HBond donors 2
    HBond acceptors 8
    Atoms 55
    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 canSAR2279521.