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canSAR1154629
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NAMES
    SMILES
    COCCOC(=O)/C(C#N)=C(/C)NCc1cnc(Cl)s1
    InChI
    InChI=1S/C12H14ClN3O3S/c1-8(15-6-9-7-16-12(13)20-9)10(5-14)11(17)19-4-3-18-2/h7,15H,3-4,6H2,1-2H3/b10-8-
    MOLECULAR FORMULA
    C12H14ClN3O3S
    CROSS REFERENCES
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    canSAR1154629

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 315.04
    AlogP 1.87
    HBond donors 1
    HBond acceptors 6
    Atoms 34
    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 canSAR1154629.