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canSAR1648978
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NAMES
    SMILES
    Cc1cc(C)cc(CSc2nnc(C)c(O)n2)c1
    InChI
    InChI=1S/C13H15N3OS/c1-8-4-9(2)6-11(5-8)7-18-13-14-12(17)10(3)15-16-13/h4-6H,7H2,1-3H3,(H,14,16,17)
    MOLECULAR FORMULA
    C13H15N3OS
    CROSS REFERENCES
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    canSAR1648978

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 261.09
    AlogP 2.79
    HBond donors 1
    HBond acceptors 4
    Atoms 33
    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 canSAR1648978.