canSAR2168341
FEATURES
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NAMES
    SMILES
    CN(C)CCCNCCC(=O)Nc1ccc(Nc2nc(-c3ccccc3NC(=O)CCNCCCN(C)C)nc3ccccc23)cc1
    InChI
    InChI=1S/C36H49N9O2/c1-44(2)25-9-21-37-23-19-33(46)39-27-15-17-28(18-16-27)40-35-30-12-6-8-14-32(30)42-36(43-35)29-11-5-7-13-31(29)41-34(47)20-24-38-22-10-26-45(3)4/h5-8,11-18,37-38H,9-10,19-26H2,1-4H3,(H,39,46)(H,41,47)(H,40,42,43)
    MOLECULAR FORMULA
    C36H49N9O2
    CROSS REFERENCES
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    canSAR2168341
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight639.40
    AlogP4.78
    HBond donors5
    HBond acceptors11
    Atoms96
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2168341.