Molecule FYI-1001751

A

Molecule Summary:

ID: FYI-1001751
SMILES: C[C@@H]1CN(C[C@H](C)O1)C(=O)C2C=NC(=CC=2)N3C(=NC(N(C)C)=N3)[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-1001751 Edit

Molecule Structure SMILES String: C[C@@H]1CN(C[C@H](C)O1)C(=O)C2C=NC(=CC=2)N3C(=NC(N(C)C)=N3)[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-1001751
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
   11.7846    1.9376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   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
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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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    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
  8  7  1  0  0  0  0
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 19 20  1  6  0  0  0
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 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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 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-1001751-3D
FYIcenter.com

 72 75  0  0  1  0  0  0  0  0999 V2000
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   -3.7941   13.0235   -3.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0824   13.4847   -1.2626 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6925   10.3435   -1.8728 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6666   10.8066   -2.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8301   12.1655   -2.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5938    7.9367   -3.5645 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4826    8.9682   -3.5311 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 32  1  0  0  0  0
 31 70  1  0  0  0  0
 32 33  2  0  0  0  0
 32 40  1  0  0  0  0
 33 34  1  0  0  0  0
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 35 72  1  0  0  0  0
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 40 41  1  0  0  0  0
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 40 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-14, 1898👍, 0💬