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canSAR1987331
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NAMES
    SMILES
    CCN1C(=O)/C(=C2/SC(C)=C(C)N2CC)SC1=S
    InChI
    InChI=1S/C12H16N2OS3/c1-5-13-7(3)8(4)17-11(13)9-10(15)14(6-2)12(16)18-9/h5-6H2,1-4H3/b11-9-
    MOLECULAR FORMULA
    C12H16N2OS3
    CROSS REFERENCES
    1987331 logo

    canSAR1987331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 300.04
    AlogP 3.36
    HBond donors 0
    HBond acceptors 3
    Atoms 34
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1987331.