Molecule FYI-1001759

A

Molecule Summary:

ID: FYI-1001759
SMILES: FC1=CN=C(N=C1)N2C([C@H](C)NC(=O)C3=CC(=CC(OC(F)(F)F)=C3)S(=O)(=O)N(C)C)=NC(=N2)C4CC4

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

Molecule ID: FYI-1001759 Edit

Molecule Structure SMILES String: FC1=CN=C(N=C1)N2C([C@H](C)NC(=O)C3=CC(=CC(OC(F)(F)F)=C3)S(=O)(=O)N(C)C)=NC(=N2)C4CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001759
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
   12.3303   11.4595    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0393   10.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7078    9.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167    8.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4571    7.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7886    7.7839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0797    9.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1661    5.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1028    4.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9723    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8259    1.0577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1049    1.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
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  9  8  1  0  0  0  0
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 37 36  1  0  0  0  0
 37 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001759-3D
FYIcenter.com

 58 61  0  0  1  0  0  0  0  0999 V2000
    7.8962   -2.5970    3.1278 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036   -1.4007    3.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0174   -0.2324    3.3269 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4523    1.0016    3.3590 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1077    1.0434    3.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2432    2.4983    2.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3593    1.3592    1.9058 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2022-12-14, 1895👍, 0💬