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canSAR1127729
FEATURES
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NAMES
    SMILES
    O=S(=O)(Cc1ccccc1)N1CCN(Cc2cccc(I)c2)CC1
    InChI
    InChI=1S/C18H21IN2O2S/c19-18-8-4-7-17(13-18)14-20-9-11-21(12-10-20)24(22,23)15-16-5-2-1-3-6-16/h1-8,13H,9-12,14-15H2
    MOLECULAR FORMULA
    C18H21IN2O2S
    CROSS REFERENCES
    1127729 logo

    canSAR1127729

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 456.04
    AlogP 2.94
    HBond donors 0
    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 canSAR1127729.