canSAR859786
FEATURES
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NAMES
    SMILES
    CC1(C)Oc2ccc(C#N)cc2C(N2CC[N+](C)(C)CC2=O)[C@@H]1O.[I-]
    InChI
    InChI=1S/C18H24N3O3.HI/c1-18(2)17(23)16(20-7-8-21(3,4)11-15(20)22)13-9-12(10-19)5-6-14(13)24-18;/h5-6,9,16-17,23H,7-8,11H2,1-4H3;1H/q+1;/p-1/t16?,17-;/m0./s1
    MOLECULAR FORMULA
    C18H24IN3O3
    CROSS REFERENCES
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    canSAR859786
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight457.09
    AlogP-1.95
    HBond donors1
    HBond acceptors6
    Atoms49
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859786.