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canSAR648216
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NAMES
    SMILES
    COc1cc(Nc2nc(NCCCCCCNc3cnc4cc(Cl)ccc4c3)nc(N3CCOCC3)n2)cc(OC)c1
    InChI
    InChI=1S/C30H37ClN8O3/c1-40-25-17-23(18-26(19-25)41-2)35-29-36-28(37-30(38-29)39-11-13-42-14-12-39)33-10-6-4-3-5-9-32-24-15-21-7-8-22(31)16-27(21)34-20-24/h7-8,15-20,32H,3-6,9-14H2,1-2H3,(H2,33,35,36,37,38)
    MOLECULAR FORMULA
    C30H37ClN8O3
    CROSS REFERENCES
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    canSAR648216

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.27
    AlogP 5.75
    HBond donors 3
    HBond acceptors 11
    Atoms 79
    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 canSAR648216.