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canSAR1719374
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NAMES
    SMILES
    CCOc1cc(C2NC(=O)N=C(c3cccnc3)C2c2ccsc2)cc(C(=O)O)c1O
    InChI
    InChI=1S/C22H19N3O5S/c1-2-30-16-9-14(8-15(20(16)26)21(27)28)19-17(13-5-7-31-11-13)18(24-22(29)25-19)12-4-3-6-23-10-12/h3-11,17,19,26H,2H2,1H3,(H,25,29)(H,27,28)
    MOLECULAR FORMULA
    C22H19N3O5S
    CROSS REFERENCES
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    canSAR1719374

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.10
    AlogP 3.98
    HBond donors 3
    HBond acceptors 8
    Atoms 50
    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 canSAR1719374.