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canSAR501746
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NAMES
    SMILES
    COC(=O)c1c(Nc2ccccc2)sc(/C(=N/O)c2ccc(OC)cc2)c1C
    InChI
    InChI=1S/C21H20N2O4S/c1-13-17(21(24)27-3)20(22-15-7-5-4-6-8-15)28-19(13)18(23-25)14-9-11-16(26-2)12-10-14/h4-12,22,25H,1-3H3/b23-18+
    MOLECULAR FORMULA
    C21H20N2O4S
    CROSS REFERENCES
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    canSAR501746

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 396.11
    AlogP 4.82
    HBond donors 2
    HBond acceptors 6
    Atoms 48
    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 canSAR501746.