canSAR722139
FEATURES
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NAMES
    SMILES
    Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCc5ccccc5)nc(Nc5cccc(N)c5)n4)cc3)n2)c1
    InChI
    InChI=1S/C36H40N14O/c37-26-8-4-10-29(22-26)43-35-46-31(45-33(49-35)41-20-21-51)39-19-17-25-12-14-28(15-13-25)42-34-47-32(40-18-16-24-6-2-1-3-7-24)48-36(50-34)44-30-11-5-9-27(38)23-30/h1-15,22-23,51H,16-21,37-38H2,(H3,39,41,43,45,46,49)(H3,40,42,44,47,48,50)
    MOLECULAR FORMULA
    C36H40N14O
    CROSS REFERENCES
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    canSAR722139
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight684.35
    AlogP5.17
    HBond donors11
    HBond acceptors15
    Atoms91
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR722139.