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canSAR545246
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NAMES
    SMILES
    Cl.O=C(CC(CC(=O)NCCCCCCCNc1c2ccccc2nc2ccccc12)Nc1c2ccccc2nc2ccccc12)NCCCCCCCNc1c2ccccc2nc2ccccc12
    InChI
    InChI=1S/C58H62N8O2.ClH/c67-54(59-35-19-3-1-5-21-37-61-56-42-23-7-13-29-48(42)64-49-30-14-8-24-43(49)56)39-41(63-58-46-27-11-17-33-52(46)66-53-34-18-12-28-47(53)58)40-55(68)60-36-20-4-2-6-22-38-62-57-44-25-9-15-31-50(44)65-51-32-16-10-26-45(51)57;/h7-18,23-34,41H,1-6,19-22,35-40H2,(H,59,67)(H,60,68)(H,61,64)(H,62,65)(H,63,66);1H
    MOLECULAR FORMULA
    C58H63ClN8O2
    CROSS REFERENCES
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    canSAR545246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 938.48
    AlogP 13.13
    HBond donors 5
    HBond acceptors 10
    Atoms 132
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545246.