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canSAR563141
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NAMES
    SMILES
    C[n+]1ccc(CCNC(=O)c2cc3ccccc3n2Cc2cccc(C(=N)N)c2)cc1
    InChI
    InChI=1S/C25H25N5O/c1-29-13-10-18(11-14-29)9-12-28-25(31)23-16-20-6-2-3-8-22(20)30(23)17-19-5-4-7-21(15-19)24(26)27/h2-8,10-11,13-16H,9,12,17H2,1H3,(H3-,26,27,28,31)/p+1
    MOLECULAR FORMULA
    C25H26N5O+
    CROSS REFERENCES
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    canSAR563141

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 412.21
    AlogP 2.77
    HBond donors 4
    HBond acceptors 6
    Atoms 57
    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 canSAR563141.