Molecule FYI-1001756

A

Molecule Summary:

ID: FYI-1001756
SMILES: C[C@H]1CN(C[C@@H](C)O1)C(=O)C2=CN=C(C=C2)N3C(=NC(N)=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-1001756 Edit

Molecule Structure SMILES String: C[C@H]1CN(C[C@@H](C)O1)C(=O)C2=CN=C(C=C2)N3C(=NC(N)=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-1001756
FYIcenter.com

 41 44  0  0  1  0  0  0  0  0999 V2000
   15.3878   14.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0967   13.1816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7653   12.7490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4742   11.3796    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5146   10.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8461   10.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8865    9.9387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1372   12.2449    0.0000 O   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
   11.1022   11.8839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    9.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5201    9.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    7.7756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    6.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6009    7.2714    0.0000 C   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
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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  6  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  5  1  0  0  0  0
  6  7  1  6  0  0  0
  8  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  4  1  0  0  0  0
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 38 30  1  0  0  0  0
 39 38  1  0  0  0  0
 40 38  1  0  0  0  0
 41 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001756-3D
FYIcenter.com

 66 69  0  0  1  0  0  0  0  0999 V2000
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   -0.2637   12.5555   -1.5387 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2022-12-14, 1623👍, 0💬