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canSAR2003575
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NAMES
    SMILES
    Cc1cc(C)c(C#N)c(SCc2ccccc2[N+](=O)[O-])n1
    InChI
    InChI=1S/C15H13N3O2S/c1-10-7-11(2)17-15(13(10)8-16)21-9-12-5-3-4-6-14(12)18(19)20/h3-7H,9H2,1-2H3
    MOLECULAR FORMULA
    C15H13N3O2S
    CROSS REFERENCES
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    canSAR2003575

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 299.07
    AlogP 3.77
    HBond donors 0
    HBond acceptors 5
    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 canSAR2003575.