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canSAR1430686
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NAMES
    SMILES
    C[N+]1(C)[C@H]2CC[C@@H]1CC(OC(=O)[C@@H](CO)c1ccccc1)C2.[I-]
    InChI
    InChI=1S/C18H26NO3.HI/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16?,17-;/m0./s1
    MOLECULAR FORMULA
    C18H26INO3
    CROSS REFERENCES
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    canSAR1430686

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.10
    AlogP -0.92
    HBond donors 1
    HBond acceptors 4
    Atoms 49
    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 canSAR1430686.