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canSAR2003729
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NAMES
    SMILES
    C=CCn1c(S)nnc1-c1ccc(=O)n(Cc2ccccc2)c1
    InChI
    InChI=1S/C17H16N4OS/c1-2-10-21-16(18-19-17(21)23)14-8-9-15(22)20(12-14)11-13-6-4-3-5-7-13/h2-9,12H,1,10-11H2,(H,19,23)
    MOLECULAR FORMULA
    C17H16N4OS
    CROSS REFERENCES
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    canSAR2003729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 324.10
    AlogP 2.63
    HBond donors 0
    HBond acceptors 5
    Atoms 39
    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 canSAR2003729.