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canSAR1128288
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NAMES
    SMILES
    COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)Nc1nncs1)C(=O)OC2
    InChI
    InChI=1S/C19H21N3O5S/c1-10(5-7-14(23)21-19-22-20-9-28-19)4-6-12-16(24)15-13(8-27-18(15)25)11(2)17(12)26-3/h4,9,24H,5-8H2,1-3H3,(H,21,22,23)/b10-4+
    MOLECULAR FORMULA
    C19H21N3O5S
    CROSS REFERENCES
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    canSAR1128288

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.12
    AlogP 3.14
    HBond donors 2
    HBond acceptors 8
    Atoms 49
    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 canSAR1128288.