canSAR1387000
FEATURES
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NAMES
    SMILES
    COc1cc2c(cc1O)C(Cc1ccc(O)c(O)c1)[N+](C)(C)CC2.O=C([O-])C(F)(F)F
    InChI
    InChI=1S/C19H23NO4.C2HF3O2/c1-20(2)7-6-13-10-19(24-3)18(23)11-14(13)15(20)8-12-4-5-16(21)17(22)9-12;3-2(4,5)1(6)7/h4-5,9-11,15H,6-8H2,1-3H3,(H2-,21,22,23);(H,6,7)
    MOLECULAR FORMULA
    C21H24F3NO6
    CROSS REFERENCES
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    canSAR1387000
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight443.16
    AlogP2.03
    HBond donors3
    HBond acceptors7
    Atoms55
    Contains toxicophoreYes
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1387000.