canSAR543821
FEATURES
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NAMES
    SMILES
    C[N+]1(COP(=O)(O)O)CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C([O-])C(F)(F)F
    InChI
    InChI=1S/C19H21ClN3O5P.C2HF3O2/c1-23(13-27-29(24,25)26)10-8-22(9-11-23)19-15-12-14(20)6-7-17(15)28-18-5-3-2-4-16(18)21-19;3-2(4,5)1(6)7/h2-7,12H,8-11,13H2,1H3,(H-,24,25,26);(H,6,7)
    MOLECULAR FORMULA
    C21H22ClF3N3O7P
    CROSS REFERENCES
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    canSAR543821
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight551.08
    AlogP2.65
    HBond donors2
    HBond acceptors10
    Atoms58
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR543821.