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canSAR1587533
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NAMES
    SMILES
    Cc1cc(C)nc(SCC(=O)N/N=C/c2cccn2-c2cccc(C(F)(F)F)c2)n1
    InChI
    InChI=1S/C20H18F3N5OS/c1-13-9-14(2)26-19(25-13)30-12-18(29)27-24-11-17-7-4-8-28(17)16-6-3-5-15(10-16)20(21,22)23/h3-11H,12H2,1-2H3,(H,27,29)/b24-11+
    MOLECULAR FORMULA
    C20H18F3N5OS
    CROSS REFERENCES
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    canSAR1587533

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 433.12
    AlogP 4.15
    HBond donors 1
    HBond acceptors 6
    Atoms 48
    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 canSAR1587533.