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canSAR991304
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NAMES
    SMILES
    COc1cc(F)c(/C=N/NC(=O)CSc2cc(C)nc3ccccc23)cc1OC
    InChI
    InChI=1S/C21H20FN3O3S/c1-13-8-20(15-6-4-5-7-17(15)24-13)29-12-21(26)25-23-11-14-9-18(27-2)19(28-3)10-16(14)22/h4-11H,12H2,1-3H3,(H,25,26)/b23-11+
    MOLECULAR FORMULA
    C21H20FN3O3S
    CROSS REFERENCES
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    canSAR991304

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.12
    AlogP 3.94
    HBond donors 1
    HBond acceptors 6
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR991304.