canSAR539786
FEATURES
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NAMES
    SMILES
    O=C(Nc1cc(-c2ccccc2)ccc1N1CCNCC1)c1cc2ccccc2oc1=O.O=C(O)C(F)(F)F
    InChI
    InChI=1S/C26H23N3O3.C2HF3O2/c30-25(21-16-20-8-4-5-9-24(20)32-26(21)31)28-22-17-19(18-6-2-1-3-7-18)10-11-23(22)29-14-12-27-13-15-29;3-2(4,5)1(6)7/h1-11,16-17,27H,12-15H2,(H,28,30);(H,6,7)
    MOLECULAR FORMULA
    C28H24F3N3O5
    CROSS REFERENCES
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    canSAR539786
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight539.17
    AlogP4.76
    HBond donors3
    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 canSAR539786.