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canSAR2021548
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NAMES
    SMILES
    C[N+]1(C)CCC(=C2c3ccccc3CC(=O)c3sccc32)CC1.[I-]
    InChI
    InChI=1S/C20H22NOS.HI/c1-21(2)10-7-14(8-11-21)19-16-6-4-3-5-15(16)13-18(22)20-17(19)9-12-23-20;/h3-6,9,12H,7-8,10-11,13H2,1-2H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C20H22INOS
    CROSS REFERENCES
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    canSAR2021548

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 451.05
    AlogP 1.16
    HBond donors 0
    HBond acceptors 2
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021548.