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canSAR1986504
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NAMES
    SMILES
    Cc1cccc(C)c1NC(=S)N/C=C(\C#N)C(N)=O
    InChI
    InChI=1S/C13H14N4OS/c1-8-4-3-5-9(2)11(8)17-13(19)16-7-10(6-14)12(15)18/h3-5,7H,1-2H3,(H2,15,18)(H2,16,17,19)/b10-7+
    MOLECULAR FORMULA
    C13H14N4OS
    CROSS REFERENCES
    1986504 logo

    canSAR1986504

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 274.09
    AlogP 1.48
    HBond donors 4
    HBond acceptors 5
    Atoms 33
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1986504.