canSAR2102386
FEATURES
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NAMES
    SMILES
    CC(Nc1nccc(N2C(=O)OC[C@H]2[C@H](C)O)n1)c1ncc(-c2ccc(C(F)(F)F)cc2)cn1
    InChI
    InChI=1S/C22H21F3N6O3/c1-12(19-27-9-15(10-28-19)14-3-5-16(6-4-14)22(23,24)25)29-20-26-8-7-18(30-20)31-17(13(2)32)11-34-21(31)33/h3-10,12-13,17,32H,11H2,1-2H3,(H,26,29,30)/t12?,13-,17-/m0/s1
    MOLECULAR FORMULA
    C22H21F3N6O3
    CROSS REFERENCES
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    canSAR2102386
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight474.16
    AlogP3.83
    HBond donors2
    HBond acceptors9
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2102386.