canSAR1846985
FEATURES
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NAMES
    SMILES
    NC(=O)C[N+]1(CC#CC(O)(c2ccccc2)c2ccccc2)CCCC1.[I-]
    InChI
    InChI=1S/C22H24N2O2.HI/c23-21(25)18-24(15-7-8-16-24)17-9-14-22(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20;/h1-6,10-13,26H,7-8,15-18H2,(H-,23,25);1H
    MOLECULAR FORMULA
    C22H25IN2O2
    CROSS REFERENCES
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    canSAR1846985
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight476.10
    AlogP-0.97
    HBond donors3
    HBond acceptors4
    Atoms52
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846985.