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canSAR1127034
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NAMES
    SMILES
    CC(C)(C)c1ccc(C(=O)Nc2nnc3n2CCCS3)cc1
    InChI
    InChI=1S/C16H20N4OS/c1-16(2,3)12-7-5-11(6-8-12)13(21)17-14-18-19-15-20(14)9-4-10-22-15/h5-8H,4,9-10H2,1-3H3,(H,17,18,21)
    MOLECULAR FORMULA
    C16H20N4OS
    CROSS REFERENCES
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    canSAR1127034

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 316.14
    AlogP 3.32
    HBond donors 1
    HBond acceptors 5
    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 canSAR1127034.