Molecule Editor

Molecule ID: FYI-1009277 Edit

Molecule Structure InChIKey: UUKAAKKWNVHJMJ-KFMYLYIWSA-N

Molecule Structure SMILES String: CCOC(=O)c4nc3CN([C@@H]2C[C@H](N)C(c1cc(F)c(F)cc1F)O[C@@H]2C(F)(F)F)Cc3n4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009277
FYIcenter.com

 34 37  0  0  1  0  0  0  0  0999 V2000
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    2.9229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7700    5.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.4088    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5048    5.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9124    6.5964    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1088    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    9.0212    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.0088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   14.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.8089    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   14.8089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   16.2089    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   14.1089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   12.7088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.0088    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  8  2  0  0  0  0
 13 12  1  0  0  0  0
 13  6  1  0  0  0  0
 14 13  1  0  0  0  0
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 17 18  1  1  0  0  0
 19 17  1  0  0  0  0
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 21 15  1  0  0  0  0
 21 22  1  1  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
 26 19  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  2  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  2  0  0  0  0
 33 26  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009277-3D
FYIcenter.com

 56 59  0  0  1  0  0  0  0  0999 V2000
    2.5358    0.6179   -1.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7832   -0.0249   -0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4726    0.9786    0.0534 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2882    1.7794   -0.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7543    1.4740   -1.7835 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4269    3.0653   -0.0422 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8236    3.4224    1.1020 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1497    4.7220    1.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9050    5.7665    2.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8422    6.8398    1.8159 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.6993    7.5490    2.7597 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8146    6.7222    3.4395 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3995    5.8984    4.6687 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0109    4.5213    4.3225 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4072    6.7095    5.5775 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0163    7.6605    6.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1451    8.4016    7.4342 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6521    9.2610    8.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8041    9.9661    9.1696 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.0228    9.3892    8.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5092   10.2206    9.5240 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9004    8.6773    7.7982 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3968    7.8326    6.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3067    7.2070    6.0637 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3971    7.4189    4.8221 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9209    8.3330    3.8284 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.8512    9.2714    3.2125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9384    9.3958    1.8684 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5881    8.8910    3.5076 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0080   10.5291    3.7089 F   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$