canSAR1809596
FEATURES
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NAMES
    SMILES
    CCSc1nc(O)c2c(n1)N=C(C)/C(=C(/O)OC)C2c1ccncc1
    InChI
    InChI=1S/C17H18N4O3S/c1-4-25-17-20-14-13(15(22)21-17)12(10-5-7-18-8-6-10)11(9(2)19-14)16(23)24-3/h5-8,12,23H,4H2,1-3H3,(H,20,21,22)/b16-11+
    MOLECULAR FORMULA
    C17H18N4O3S
    CROSS REFERENCES
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    canSAR1809596
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight358.11
    AlogP3.34
    HBond donors2
    HBond acceptors7
    Atoms43
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809596.