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canSAR843938
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NAMES
    SMILES
    C=C(Br)CN1C2CC[C@@H]1CC(c1ccc(I)cc1)[C@@H]2C(=O)OC
    InChI
    InChI=1S/C18H21BrINO2/c1-11(19)10-21-14-7-8-16(21)17(18(22)23-2)15(9-14)12-3-5-13(20)6-4-12/h3-6,14-17H,1,7-10H2,2H3/t14-,15?,16?,17+/m1/s1
    MOLECULAR FORMULA
    C18H21BrINO2
    CROSS REFERENCES
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    canSAR843938

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.98
    AlogP 4.31
    HBond donors 0
    HBond acceptors 3
    Atoms 44
    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 canSAR843938.