canSAR42317
FEATURES
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NAMES
    SMILES
    CC(C)=CCN1CCC2(C)c3cc(O)c(I)cc3CC1C2C
    InChI
    InChI=1S/C19H26INO/c1-12(2)5-7-21-8-6-19(4)13(3)17(21)10-14-9-16(20)18(22)11-15(14)19/h5,9,11,13,17,22H,6-8,10H2,1-4H3
    MOLECULAR FORMULA
    C19H26INO
    CROSS REFERENCES
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    canSAR42317
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight411.11
    AlogP4.49
    HBond donors1
    HBond acceptors2
    Atoms48
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR42317.