canSAR2065891
FEATURES
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NAMES
    SMILES
    CC(C)(O)CN1CC(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(C3CC3)c2)C1
    InChI
    InChI=1S/C21H26F2N4O2/c1-21(2,28)11-27-9-15(10-27)13-5-16(12-3-4-12)26-17(6-13)14-7-18(29-20(22)23)19(24)25-8-14/h5-8,12,15,20,28H,3-4,9-11H2,1-2H3,(H2,24,25)
    MOLECULAR FORMULA
    C21H26F2N4O2
    CROSS REFERENCES
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    canSAR2065891
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight404.20
    AlogP3.37
    HBond donors3
    HBond acceptors6
    Atoms55
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2065891.