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canSAR1829862
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NAMES
    SMILES
    CCC(C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1cccc(C(F)(F)F)c1
    InChI
    InChI=1S/C20H21F3N6O/c1-5-19(4,29(27-30)16-11-7-10-15(12-16)20(21,22)23)18-24-25-26-28(18)17-13(2)8-6-9-14(17)3/h6-12H,5H2,1-4H3
    MOLECULAR FORMULA
    C20H21F3N6O
    CROSS REFERENCES
    1829862 logo

    canSAR1829862

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.17
    AlogP 5.11
    HBond donors 0
    HBond acceptors 7
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1829862.