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canSAR2207500
FEATURES
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NAMES
    SMILES
    CC(C)(C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c3c(N)ncnc32)C1
    InChI
    InChI=1S/C28H26F3N9O2/c1-27(2,14-32)26(42)39-11-3-4-19(13-39)40-24-21(23(33)35-15-36-24)22(38-40)16-5-7-17(8-6-16)25(41)37-20-12-18(9-10-34-20)28(29,30)31/h5-10,12,15,19H,3-4,11,13H2,1-2H3,(H2,33,35,36)(H,34,37,41)/t19-/m1/s1
    MOLECULAR FORMULA
    C28H26F3N9O2
    CROSS REFERENCES
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    canSAR2207500

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 577.22
    AlogP 4.45
    HBond donors 3
    HBond acceptors 11
    Atoms 68
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2207500.