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canSAR2016931
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NAMES
    SMILES
    O=C(Nc1nnc(C2CCCCC2)s1)c1ccc(Br)s1
    InChI
    InChI=1S/C13H14BrN3OS2/c14-10-7-6-9(19-10)11(18)15-13-17-16-12(20-13)8-4-2-1-3-5-8/h6-8H,1-5H2,(H,15,17,18)
    MOLECULAR FORMULA
    C13H14BrN3OS2
    CROSS REFERENCES
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    canSAR2016931

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 370.98
    AlogP 4.66
    HBond donors 1
    HBond acceptors 4
    Atoms 34
    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 canSAR2016931.