Molecule FYI-1001750

A

Molecule Summary:

ID: FYI-1001750
SMILES: CNC1=NN(C2=NC=C(C=C2)C(=O)N3C[C@@H](C)O[C@@H](C)C3)C(=N1)[C@H](C)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Received at FYIcenter.com on: 2022-11-21

Molecule ID: FYI-1001750 Edit

Molecule Structure SMILES String: CNC1=NN(C2=NC=C(C=C2)C(=O)N3C[C@@H](C)O[C@@H](C)C3)C(=N1)[C@H](C)NC(=O)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001750
FYIcenter.com

 42 45  0  0  1  0  0  0  0  0999 V2000
   10.9617    0.8050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2152    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    4.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    5.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    6.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    7.2714    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8920    8.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    9.5777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5201    9.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    7.7756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1427   10.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4743   11.3796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1023   11.8839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3935   13.2532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3530   14.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6440   15.5594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0216   13.7574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2373    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    6.8124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
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 15 14  1  0  0  0  0
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 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  6  0  0  0
 21 19  1  0  0  0  0
 21 14  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 23  3  1  0  0  0  0
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 25 24  1  0  0  0  0
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 31 30  1  0  0  0  0
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 33 32  1  0  0  0  0
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 36 35  1  0  0  0  0
 37 35  1  0  0  0  0
 38 35  1  0  0  0  0
 39 31  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  1  0  0  0  0
 42 39  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001750-3D
FYIcenter.com

 69 72  0  0  1  0  0  0  0  0999 V2000
    3.2742   -6.8985   -4.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3545   -5.5879   -5.1584 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3687   -4.7818   -4.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5719   -5.1661   -4.4312 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812   -3.9962   -4.1135 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4764   -4.0228   -3.5218 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9576   -2.9504   -2.8424 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1789   -3.0972   -2.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9669   -4.2419   -2.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4237   -5.3336   -3.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1882   -5.2189   -3.6255 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2758   -4.3059   -1.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3685   -3.7318   -0.5679 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3334   -5.0285   -2.2094 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4441   -5.5711   -3.5711 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6784   -7.0912   -3.4875 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.8111   -7.7099   -4.8700 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8844   -7.3554   -2.7458 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7925   -6.8389   -1.3980 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.0957   -7.1723   -0.6888 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5231   -5.3177   -1.4016 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3373   -2.9452   -4.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855   -3.4340   -4.8655 N   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5954    0.3545   -5.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6902    0.7951   -5.6196 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8166    1.0700   -7.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2170    1.9232   -7.9981 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6286    1.1893   -7.0149 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4824   -7.4833   -5.0233 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.8012   -6.0646   -4.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  2  0  0  0  0
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 24 62  1  6  0  0  0
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 35 38  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-14, 430👍, 0💬