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canSAR1103283
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NAMES
    SMILES
    Cc1cc(N2CCN(C)CC2)nc(Nc2ccc(OCCCCCOc3ccc(Nc4nc(C)cc(N5CCN(C)CC5)n4)cc3)cc2)n1
    InChI
    InChI=1S/C37H50N10O2/c1-28-26-34(46-20-16-44(3)17-21-46)42-36(38-28)40-30-8-12-32(13-9-30)48-24-6-5-7-25-49-33-14-10-31(11-15-33)41-37-39-29(2)27-35(43-37)47-22-18-45(4)19-23-47/h8-15,26-27H,5-7,16-25H2,1-4H3,(H,38,40,42)(H,39,41,43)
    MOLECULAR FORMULA
    C37H50N10O2
    CROSS REFERENCES
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    canSAR1103283

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 666.41
    AlogP 5.50
    HBond donors 2
    HBond acceptors 12
    Atoms 99
    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 canSAR1103283.