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canSAR1972166
FEATURES
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NAMES
    SMILES
    CC1(c2ccc(F)c(NC(=O)c3ccc4ccccc4n3)c2)CCSC(N)=N1
    InChI
    InChI=1S/C21H19FN4OS/c1-21(10-11-28-20(23)26-21)14-7-8-15(22)18(12-14)25-19(27)17-9-6-13-4-2-3-5-16(13)24-17/h2-9,12H,10-11H2,1H3,(H2,23,26)(H,25,27)
    MOLECULAR FORMULA
    C21H19FN4OS
    CROSS REFERENCES
    1972166 logo

    canSAR1972166

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 394.13
    AlogP 4.29
    HBond donors 3
    HBond acceptors 5
    Atoms 47
    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 canSAR1972166.