canSAR2219812
FEATURES
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NAMES
    SMILES
    CCC/C=C\CO[C@@H]1CCc2cc([C@H]3CC[C@](N)(COP(=O)(O)O)C3)ccc2C1
    InChI
    InChI=1S/C22H34NO5P/c1-2-3-4-5-12-27-21-9-8-17-13-18(6-7-19(17)14-21)20-10-11-22(23,15-20)16-28-29(24,25)26/h4-7,13,20-21H,2-3,8-12,14-16,23H2,1H3,(H2,24,25,26)/b5-4-/t20-,21+,22+/m0/s1
    MOLECULAR FORMULA
    C22H34NO5P
    CROSS REFERENCES
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    canSAR2219812
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight423.22
    AlogP3.99
    HBond donors4
    HBond acceptors6
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2219812.