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canSAR1408146
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NAMES
    SMILES
    COc1ccc(NC(=S)N/N=C/c2cccn2Cc2ccccc2F)cc1
    InChI
    InChI=1S/C20H19FN4OS/c1-26-18-10-8-16(9-11-18)23-20(27)24-22-13-17-6-4-12-25(17)14-15-5-2-3-7-19(15)21/h2-13H,14H2,1H3,(H2,23,24,27)/b22-13+
    MOLECULAR FORMULA
    C20H19FN4OS
    CROSS REFERENCES
    1408146 logo

    canSAR1408146

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 382.13
    AlogP 4.00
    HBond donors 2
    HBond acceptors 5
    Atoms 46
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1408146.