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canSAR1998764
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NAMES
    SMILES
    Br.CCC(=O)Nc1nc(C)c(-c2csc(Nc3cccc(O)c3)n2)s1
    InChI
    InChI=1S/C16H16N4O2S2.BrH/c1-3-13(22)20-16-17-9(2)14(24-16)12-8-23-15(19-12)18-10-5-4-6-11(21)7-10;/h4-8,21H,3H2,1-2H3,(H,18,19)(H,17,20,22);1H
    MOLECULAR FORMULA
    C16H17BrN4O2S2
    CROSS REFERENCES
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    canSAR1998764

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 440.00
    AlogP 4.95
    HBond donors 3
    HBond acceptors 6
    Atoms 42
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1998764.