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canSAR560708
FEATURES
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NAMES
    SMILES
    COc1ccc2cc(C(=O)NCc3ccc([N+](C)(C)C)cc3)n(Cc3cccc(C(=N)N)c3)c2c1
    InChI
    InChI=1S/C28H31N5O2/c1-33(2,3)23-11-8-19(9-12-23)17-31-28(34)26-15-21-10-13-24(35-4)16-25(21)32(26)18-20-6-5-7-22(14-20)27(29)30/h5-16H,17-18H2,1-4H3,(H3-,29,30,31,34)/p+1
    MOLECULAR FORMULA
    C28H32N5O2+
    CROSS REFERENCES
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    canSAR560708

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 470.26
    AlogP 4.11
    HBond donors 4
    HBond acceptors 7
    Atoms 67
    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 canSAR560708.