canSAR2156299
FEATURES
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NAMES
    SMILES
    Cc1ccc2cc(OCCCN3C(=O)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)ccc2[n+]1[O-]
    InChI
    InChI=1S/C26H23F3N4O4/c1-16-5-6-17-13-20(9-10-22(17)33(16)36)37-12-4-11-31-24(35)32(23(34)25(31,2)3)19-8-7-18(15-30)21(14-19)26(27,28)29/h5-10,13-14H,4,11-12H2,1-3H3
    MOLECULAR FORMULA
    C26H23F3N4O4
    CROSS REFERENCES
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    canSAR2156299
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight512.17
    AlogP4.69
    HBond donors0
    HBond acceptors8
    Atoms60
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2156299.