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canSAR789988
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NAMES
    SMILES
    C[C@@H]1CCC[C@@H]2C[C@@H](NC(=O)c3cc(I)ccc3O)CCN12
    InChI
    InChI=1S/C17H23IN2O2/c1-11-3-2-4-14-10-13(7-8-20(11)14)19-17(22)15-9-12(18)5-6-16(15)21/h5-6,9,11,13-14,21H,2-4,7-8,10H2,1H3,(H,19,22)/t11-,13+,14-/m1/s1
    MOLECULAR FORMULA
    C17H23IN2O2
    CROSS REFERENCES
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    canSAR789988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.08
    AlogP 3.13
    HBond donors 2
    HBond acceptors 4
    Atoms 45
    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 canSAR789988.