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canSAR558502
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NAMES
    SMILES
    CC12CC3CC(C)(C1)CC(/N=C(\N)Nc1ccccc1I)(C3)C2.Cl
    InChI
    InChI=1S/C19H26IN3.ClH/c1-17-7-13-8-18(2,10-17)12-19(9-13,11-17)23-16(21)22-15-6-4-3-5-14(15)20;/h3-6,13H,7-12H2,1-2H3,(H3,21,22,23);1H
    MOLECULAR FORMULA
    C19H27ClIN3
    CROSS REFERENCES
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    canSAR558502

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 459.09
    AlogP 5.19
    HBond donors 3
    HBond acceptors 3
    Atoms 51
    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 canSAR558502.