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canSAR196967
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NAMES
    SMILES
    CC(C)(C)c1cc(I)c2c(c1)CNC1(CCC(C(C)(C)C)CC1)O2
    InChI
    InChI=1S/C21H32INO/c1-19(2,3)15-7-9-21(10-8-15)23-13-14-11-16(20(4,5)6)12-17(22)18(14)24-21/h11-12,15,23H,7-10,13H2,1-6H3
    MOLECULAR FORMULA
    C21H32INO
    CROSS REFERENCES
    196967 logo

    canSAR196967

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.15
    AlogP 6.00
    HBond donors 1
    HBond acceptors 2
    Atoms 56
    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 canSAR196967.