canSAR2212195
FEATURES
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NAMES
    SMILES
    Cn1cc(COC[C@@H]2CCc3cc([C@H]4CC[C@](N)(COP(=O)(O)O)C4)ccc3C2)cn1
    InChI
    InChI=1S/C22H32N3O5P/c1-25-12-17(11-24-25)14-29-13-16-2-3-19-9-20(5-4-18(19)8-16)21-6-7-22(23,10-21)15-30-31(26,27)28/h4-5,9,11-12,16,21H,2-3,6-8,10,13-15,23H2,1H3,(H2,26,27,28)/t16-,21+,22-/m1/s1
    MOLECULAR FORMULA
    C22H32N3O5P
    CROSS REFERENCES
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    canSAR2212195
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight449.21
    AlogP2.82
    HBond donors4
    HBond acceptors8
    Atoms63
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2212195.