canSAR740031
FEATURES
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NAMES
    SMILES
    CN1CCN(c2nc(Nc3ccc(CCNc4nc(NCCO)nc(Nc5cccc(N)c5)n4)cc3)nc(Nc3cccc(N)c3)n2)CC1
    InChI
    InChI=1S/C33H41N15O/c1-47-15-17-48(18-16-47)33-45-31(44-32(46-33)40-27-7-3-5-24(35)21-27)38-25-10-8-22(9-11-25)12-13-36-28-41-29(37-14-19-49)43-30(42-28)39-26-6-2-4-23(34)20-26/h2-11,20-21,49H,12-19,34-35H2,1H3,(H2,38,40,44,45,46)(H3,36,37,39,41,42,43)
    MOLECULAR FORMULA
    C33H41N15O
    CROSS REFERENCES
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    canSAR740031
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight663.36
    AlogP3.26
    HBond donors10
    HBond acceptors16
    Atoms90
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR740031.