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canSAR993091
FEATURES
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NAMES
    SMILES
    CCCCc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)OC)N3C)cc1I
    InChI
    InChI=1S/C20H28INO2/c1-4-5-6-13-7-8-14(11-17(13)21)16-12-15-9-10-18(22(15)2)19(16)20(23)24-3/h7-8,11,15-16,18-19H,4-6,9-10,12H2,1-3H3/t15-,16+,18+,19-/m0/s1
    MOLECULAR FORMULA
    C20H28INO2
    CROSS REFERENCES
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    canSAR993091

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.12
    AlogP 4.37
    HBond donors 0
    HBond acceptors 3
    Atoms 52
    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 canSAR993091.