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canSAR1408191
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NAMES
    SMILES
    CCOC(=O)c1c(NC(=O)NN=Cc2ccc(O)c(OC)c2)sc(C(C)=O)c1C
    InChI
    InChI=1S/C19H21N3O6S/c1-5-28-18(25)15-10(2)16(11(3)23)29-17(15)21-19(26)22-20-9-12-6-7-13(24)14(8-12)27-4/h6-9,24H,5H2,1-4H3,(H2,21,22,26)
    MOLECULAR FORMULA
    C19H21N3O6S
    CROSS REFERENCES
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    canSAR1408191

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.12
    AlogP 3.31
    HBond donors 3
    HBond acceptors 9
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1408191.