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canSAR1012376
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NAMES
    SMILES
    O=C1NC(=S)S/C1=C\c1c(-c2ccc(Br)cc2)nc2sc(C(F)(F)F)nn12
    InChI
    InChI=1S/C15H6BrF3N4OS3/c16-7-3-1-6(2-4-7)10-8(5-9-11(24)21-14(25)26-9)23-13(20-10)27-12(22-23)15(17,18)19/h1-5H,(H,21,24,25)/b9-5-
    MOLECULAR FORMULA
    C15H6BrF3N4OS3
    CROSS REFERENCES
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    canSAR1012376

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.88
    AlogP 4.73
    HBond donors 1
    HBond acceptors 5
    Atoms 33
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1012376.