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canSAR172655
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NAMES
    SMILES
    CCCC/N=C(\S)C1(c2ccccn2)CCCS1
    InChI
    InChI=1S/C14H20N2S2/c1-2-3-9-16-13(17)14(8-6-11-18-14)12-7-4-5-10-15-12/h4-5,7,10H,2-3,6,8-9,11H2,1H3,(H,16,17)
    MOLECULAR FORMULA
    C14H20N2S2
    CROSS REFERENCES
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    canSAR172655

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 280.11
    AlogP 3.93
    HBond donors 0
    HBond acceptors 2
    Atoms 38
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR172655.