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canSAR2017848
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NAMES
    SMILES
    CCCCNC(=O)Nc1nc2ccccc2s1
    InChI
    InChI=1S/C12H15N3OS/c1-2-3-8-13-11(16)15-12-14-9-6-4-5-7-10(9)17-12/h4-7H,2-3,8H2,1H3,(H2,13,14,15,16)
    MOLECULAR FORMULA
    C12H15N3OS
    CROSS REFERENCES
    2017848 logo

    canSAR2017848

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 249.09
    AlogP 3.22
    HBond donors 2
    HBond acceptors 4
    Atoms 32
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2017848.