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canSAR1499262
FEATURES
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NAMES
    SMILES
    CCn1c(/C=C/Nc2ccccc2)[n+](CC)c2ccc(C(=O)OCC(F)(F)F)cc21.[I-]
    InChI
    InChI=1S/C22H22F3N3O2.HI/c1-3-27-18-11-10-16(21(29)30-15-22(23,24)25)14-19(18)28(4-2)20(27)12-13-26-17-8-6-5-7-9-17;/h5-14H,3-4,15H2,1-2H3;1H
    MOLECULAR FORMULA
    C22H23F3IN3O2
    CROSS REFERENCES
    1499262 logo

    canSAR1499262

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 545.08
    AlogP 1.77
    HBond donors 1
    HBond acceptors 5
    Atoms 54
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1499262.