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canSAR1974214
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NAMES
    SMILES
    COc1cc(C2c3c(-c4cccs4)n[nH]c3OC(=N)C2C#N)cc(OC)c1O
    InChI
    InChI=1S/C19H16N4O4S/c1-25-11-6-9(7-12(26-2)17(11)24)14-10(8-20)18(21)27-19-15(14)16(22-23-19)13-4-3-5-28-13/h3-7,10,14,21,24H,1-2H3,(H,22,23)
    MOLECULAR FORMULA
    C19H16N4O4S
    CROSS REFERENCES
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    canSAR1974214

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.09
    AlogP 3.50
    HBond donors 3
    HBond acceptors 8
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1974214.