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canSAR1834194
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NAMES
    SMILES
    COC(=O)[C@@H]1CN(C)CC[C@@H]1c1ccc(/C=C\[123I])cc1
    InChI
    InChI=1S/C16H20INO2/c1-18-10-8-14(15(11-18)16(19)20-2)13-5-3-12(4-6-13)7-9-17/h3-7,9,14-15H,8,10-11H2,1-2H3/b9-7-/t14-,15-/m1/s1/i17-4
    MOLECULAR FORMULA
    C16H20INO2
    CROSS REFERENCES
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    canSAR1834194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 381.05
    AlogP 3.30
    HBond donors 0
    HBond acceptors 3
    Atoms 40
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1834194.