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canSAR1127769
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NAMES
    SMILES
    O=C(NC(=S)Nc1ccc(Cl)cc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1
    InChI
    InChI=1S/C23H16ClFN4OS/c24-16-8-12-18(13-9-16)26-23(31)27-22(30)20-14-29(19-4-2-1-3-5-19)28-21(20)15-6-10-17(25)11-7-15/h1-14H,(H2,26,27,30,31)
    MOLECULAR FORMULA
    C23H16ClFN4OS
    CROSS REFERENCES
    1127769 logo

    canSAR1127769

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.07
    AlogP 5.46
    HBond donors 2
    HBond acceptors 5
    Atoms 47
    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 canSAR1127769.