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canSAR392926
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NAMES
    SMILES
    CCCCC1=NC(Cl)C(C(=O)O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
    InChI
    InChI=1S/C22H23ClN6O2/c1-2-3-8-18-24-20(23)19(22(30)31)29(18)13-14-9-11-15(12-10-14)16-6-4-5-7-17(16)21-25-27-28-26-21/h4-7,9-12,19-20H,2-3,8,13H2,1H3,(H,30,31)(H,25,26,27,28)
    MOLECULAR FORMULA
    C22H23ClN6O2
    CROSS REFERENCES
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    canSAR392926

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.16
    AlogP 3.96
    HBond donors 2
    HBond acceptors 8
    Atoms 54
    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 canSAR392926.