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canSAR2048383
FEATURES
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NAMES
    SMILES
    O=C1CC(C(=O)N2CCc3ccccc3C2C[N+]2(CC3CC3)CCCC2)c2cc(Cl)ccc21.[Br-]
    InChI
    InChI=1S/C28H32ClN2O2.BrH/c29-21-9-10-23-24(15-21)25(16-27(23)32)28(33)30-12-11-20-5-1-2-6-22(20)26(30)18-31(13-3-4-14-31)17-19-7-8-19;/h1-2,5-6,9-10,15,19,25-26H,3-4,7-8,11-14,16-18H2;1H/q+1;/p-1
    MOLECULAR FORMULA
    C28H32BrClN2O2
    CROSS REFERENCES
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    canSAR2048383

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.13
    AlogP 2.16
    HBond donors 0
    HBond acceptors 4
    Atoms 66
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2048383.