canSAR1417117
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H]1CCN(c2cc(Cl)ccc2CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)C1
    InChI
    InChI=1S/C21H25ClF6N4O3/c1-13(33)29-16-4-5-32(12-16)17-10-15(22)3-2-14(17)11-30-6-8-31(9-7-30)19(34)35-18(20(23,24)25)21(26,27)28/h2-3,10,16,18H,4-9,11-12H2,1H3,(H,29,33)/t16-/m1/s1
    MOLECULAR FORMULA
    C21H25ClF6N4O3
    CROSS REFERENCES
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    canSAR1417117
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight530.15
    AlogP3.80
    HBond donors1
    HBond acceptors7
    Atoms60
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417117.