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canSAR655823
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NAMES
    SMILES
    COc1cc(Nc2nc(NCCCCCCCCNc3cnc4cc(Cl)ccc4c3)nc(N3CCOCC3)n2)cc(OC)c1
    InChI
    InChI=1S/C32H41ClN8O3/c1-42-27-19-25(20-28(21-27)43-2)37-31-38-30(39-32(40-31)41-13-15-44-16-14-41)35-12-8-6-4-3-5-7-11-34-26-17-23-9-10-24(33)18-29(23)36-22-26/h9-10,17-22,34H,3-8,11-16H2,1-2H3,(H2,35,37,38,39,40)
    MOLECULAR FORMULA
    C32H41ClN8O3
    CROSS REFERENCES
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    canSAR655823

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.30
    AlogP 6.54
    HBond donors 3
    HBond acceptors 11
    Atoms 85
    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 canSAR655823.