canSAR859097
FEATURES
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NAMES
    SMILES
    Cn1cc(C2=NCC3(CC4CCC(C3)[N+]4(C)C)O2)c2ccccc21.[I-]
    InChI
    InChI=1S/C20H26N3O.HI/c1-22-12-17(16-6-4-5-7-18(16)22)19-21-13-20(24-19)10-14-8-9-15(11-20)23(14,2)3;/h4-7,12,14-15H,8-11,13H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C20H26IN3O
    CROSS REFERENCES
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    canSAR859097
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight451.11
    AlogP0.10
    HBond donors0
    HBond acceptors4
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR859097.