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canSAR549111
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NAMES
    SMILES
    Clc1ccc(CCC2(Cn3ccnc3)SCCS2)cc1
    InChI
    InChI=1S/C15H17ClN2S2/c16-14-3-1-13(2-4-14)5-6-15(19-9-10-20-15)11-18-8-7-17-12-18/h1-4,7-8,12H,5-6,9-11H2
    MOLECULAR FORMULA
    C15H17ClN2S2
    CROSS REFERENCES
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    canSAR549111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 324.05
    AlogP 4.35
    HBond donors 0
    HBond acceptors 2
    Atoms 37
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR549111.