Molecule FYI-1005769

A

Molecule Summary:

ID: FYI-1005769
Names:
InChIKey: UNSIUCFBWITRMP-UHFFFAOYSA-N
SMILES: CC4CCN(S(=O)(=O)c3ccc(C(=O)Nc2nnc(c1ccc(C(F)(F)F)cc1)o2)cc3)CC4

Received at FYIcenter.com on: 2023-11-13

Molecule ID: FYI-1005769 Edit

Molecule Structure InChIKey: UNSIUCFBWITRMP-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4CCN(S(=O)(=O)c3ccc(C(=O)Nc2nnc(c1ccc(C(F)(F)F)cc1)o2)cc3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005769
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
   13.0470    9.6659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3470   10.8783    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346   10.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9222   10.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7098   10.1783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7098    8.7783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4974    8.0783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2849    8.7783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.5595   12.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.1346   14.3783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1346   12.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7470   10.8783    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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 33 32  1  0  0  0  0
 33 27  1  0  0  0  0
 34  2  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005769-3D
FYIcenter.com

 55 58  0     0  0  0  0  0  0999 V2000
    5.7871    0.9602   -1.8346 S   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8783    0.7892    0.4672 F   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8697    2.6726    0.8712 F   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1439    2.0098   -1.1756 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.6297    0.8429    3.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2075   -1.2431   -1.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2316    0.8899   -0.8404 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0357   -1.8870   -1.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 55  1  0  0  0  0
M  END
$$$$

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2023-11-18, 373👍, 0💬