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canSAR558936
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NAMES
    SMILES
    Cl.NCCCOc1c(Cl)cc(Cl)cc1C/C(=N/O)C(=O)NCCc1c[nH]c2ccccc12
    InChI
    InChI=1S/C22H24Cl2N4O3.ClH/c23-16-10-15(21(18(24)12-16)31-9-3-7-25)11-20(28-30)22(29)26-8-6-14-13-27-19-5-2-1-4-17(14)19;/h1-2,4-5,10,12-13,27,30H,3,6-9,11,25H2,(H,26,29);1H/b28-20-;
    MOLECULAR FORMULA
    C22H25Cl3N4O3
    CROSS REFERENCES
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    canSAR558936

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 498.10
    AlogP 4.36
    HBond donors 5
    HBond acceptors 7
    Atoms 57
    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 canSAR558936.