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canSAR1689263
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NAMES
    SMILES
    COc1ccc(C(=O)NCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1OC
    InChI
    InChI=1S/C21H19F3N4O5S/c1-31-15-7-6-12(8-16(15)32-2)19(30)25-10-18-27-28-20(33-18)34-11-17(29)26-14-5-3-4-13(9-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,25,30)(H,26,29)
    MOLECULAR FORMULA
    C21H19F3N4O5S
    CROSS REFERENCES
    1689263 logo

    canSAR1689263

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.10
    AlogP 3.77
    HBond donors 2
    HBond acceptors 9
    Atoms 53
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1689263.