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canSAR559060
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NAMES
    SMILES
    CCn1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)[n+](CCO)c2cc3ccccc3cc21.[Cl-]
    InChI
    InChI=1S/C29H32N3O.ClH/c1-5-31-25-19-21-11-6-7-12-22(21)20-26(25)32(17-18-33)28(31)16-10-15-27-29(2,3)23-13-8-9-14-24(23)30(27)4;/h6-16,19-20,33H,5,17-18H2,1-4H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C29H32ClN3O
    CROSS REFERENCES
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    canSAR559060

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.22
    AlogP 2.42
    HBond donors 1
    HBond acceptors 4
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR559060.