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canSAR112754
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NAMES
    SMILES
    c1ccc2sc(-c3ccc(N4CCCC4)cc3)nc2c1
    InChI
    InChI=1S/C17H16N2S/c1-2-6-16-15(5-1)18-17(20-16)13-7-9-14(10-8-13)19-11-3-4-12-19/h1-2,5-10H,3-4,11-12H2
    MOLECULAR FORMULA
    C17H16N2S
    CROSS REFERENCES
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    canSAR112754

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 280.10
    AlogP 4.56
    HBond donors 0
    HBond acceptors 2
    Atoms 36
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR112754.