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canSAR1716961
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NAMES
    SMILES
    CC(C)c1ccc(C2NC(S)=NC3=C2C(=O)CCC3)cc1
    InChI
    InChI=1S/C17H20N2OS/c1-10(2)11-6-8-12(9-7-11)16-15-13(18-17(21)19-16)4-3-5-14(15)20/h6-10,16H,3-5H2,1-2H3,(H2,18,19,21)
    MOLECULAR FORMULA
    C17H20N2OS
    CROSS REFERENCES
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    canSAR1716961

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 300.13
    AlogP 3.75
    HBond donors 1
    HBond acceptors 3
    Atoms 41
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1716961.