canSAR2095342
FEATURES
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NAMES
    SMILES
    Nc1ncc(-c2cc(N3C[C@H]4C[C@@H]3CO4)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F
    InChI
    InChI=1S/C19H21F3N6O2/c20-11-1-2-27(7-11)19-25-14(10-3-15(30-18(21)22)17(23)24-6-10)5-16(26-19)28-8-13-4-12(28)9-29-13/h3,5-6,11-13,18H,1-2,4,7-9H2,(H2,23,24)/t11-,12+,13+/m0/s1
    MOLECULAR FORMULA
    C19H21F3N6O2
    CROSS REFERENCES
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    canSAR2095342
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight422.17
    AlogP2.25
    HBond donors2
    HBond acceptors8
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2095342.