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canSAR1149465
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NAMES
    SMILES
    CC1(C)CC(Nc2ccc(I)cc2)C2=C(O1)C(=O)c1ccccc1C2=O
    InChI
    InChI=1S/C21H18INO3/c1-21(2)11-16(23-13-9-7-12(22)8-10-13)17-18(24)14-5-3-4-6-15(14)19(25)20(17)26-21/h3-10,16,23H,11H2,1-2H3
    MOLECULAR FORMULA
    C21H18INO3
    CROSS REFERENCES
    1149465 logo

    canSAR1149465

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.03
    AlogP 4.60
    HBond donors 1
    HBond acceptors 4
    Atoms 44
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1149465.