canSAR714125
FEATURES
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NAMES
    SMILES
    Nc1cccc(Nc2nc(NCCO)nc(NCCc3ccc(Nc4nc(NCCO)nc(Nc5ccc(Cl)cc5)n4)cc3)n2)c1
    InChI
    InChI=1S/C30H34ClN13O2/c31-20-6-10-23(11-7-20)37-29-43-27(35-15-17-46)42-28(44-29)36-22-8-4-19(5-9-22)12-13-33-25-39-26(34-14-16-45)41-30(40-25)38-24-3-1-2-21(32)18-24/h1-11,18,45-46H,12-17,32H2,(H3,33,34,38,39,40,41)(H3,35,36,37,42,43,44)
    MOLECULAR FORMULA
    C30H34ClN13O2
    CROSS REFERENCES
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    canSAR714125
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight643.26
    AlogP3.99
    HBond donors10
    HBond acceptors15
    Atoms80
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR714125.