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canSAR547319
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NAMES
    SMILES
    CN(C)c1nc(NCCCNCCCCCCCCCNCCCNc2nc(N(C)C)nc(N(C)C)n2)nc(N(C)C)n1
    InChI
    InChI=1S/C29H58N14/c1-40(2)26-34-24(35-27(38-26)41(3)4)32-22-16-20-30-18-14-12-10-9-11-13-15-19-31-21-17-23-33-25-36-28(42(5)6)39-29(37-25)43(7)8/h30-31H,9-23H2,1-8H3,(H,32,34,35,38)(H,33,36,37,39)
    MOLECULAR FORMULA
    C29H58N14
    CROSS REFERENCES
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    canSAR547319

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 602.50
    AlogP 2.53
    HBond donors 4
    HBond acceptors 14
    Atoms 101
    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 canSAR547319.