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canSAR1268165
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NAMES
    SMILES
    CN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(NC4CCCC4)n3)cc2)CC1
    InChI
    InChI=1S/C20H27N7O2/c1-25-10-12-26(13-11-25)17-8-6-16(7-9-17)23-20-21-14-18(27(28)29)19(24-20)22-15-4-2-3-5-15/h6-9,14-15H,2-5,10-13H2,1H3,(H2,21,22,23,24)
    MOLECULAR FORMULA
    C20H27N7O2
    CROSS REFERENCES
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    canSAR1268165

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 397.22
    AlogP 3.23
    HBond donors 2
    HBond acceptors 9
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1268165.