Molecule FYI-1000332

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A

Molecule Summary:

ID: FYI-1000332
SMILES: Cc1ccc(cc1F)[C@](C)(C(=O)OC)NCc2cccs2

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000332 Edit

Molecule Structure SMILES String: Cc1ccc(cc1F)[C@](C)(C(=O)OC)NCc2cccs2

Download SDF Download SVG Structure in 2D SDF:

FYI-1000332
FYIcenter.com

 21 22  0  0  1  0  0  0  0  0999 V2000
    5.8531    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    6.5834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    0.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0656    0.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    2.3834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 S   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
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  5  1  0  0  0  0
  9 10  1  1  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15  9  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000332-3D
FYIcenter.com

 39 40  0  0  1  0  0  0  0  0999 V2000
   -2.3165   -5.5346   -4.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5164   -4.6059   -3.3053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1546   -5.0127   -2.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3091   -4.1212   -1.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7960   -2.8098   -1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1764   -2.4148   -2.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0469   -3.2971   -3.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4612   -2.8615   -4.5050 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9592   -1.8230    0.0648 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.7893   -0.8044    0.1662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9335   -2.6059    1.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9094   -2.8598    2.1392 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6528   -2.9759    1.7626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010   -3.6128    3.0315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2693   -1.0955   -0.0317 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4217   -0.2712   -1.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6982    0.5196   -1.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0009    0.0674   -1.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9485    1.1108   -1.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3456    2.3259   -1.5891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6433    2.2154   -1.5121 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147   -6.4955   -4.2995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2480   -5.7259   -4.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7277   -5.0971   -5.3784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5450   -6.0242   -2.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8427   -4.4759   -0.1759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8051   -1.4062   -2.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8724   -0.2015    1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7272   -0.1121   -0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8189   -1.3154    0.1982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4317   -3.6490    3.2606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8839   -4.6347    2.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9985   -3.0447    3.8239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3855   -0.5128    0.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4470   -0.9027   -2.1270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5838    0.4226   -1.3420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2562   -0.9746   -0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0233    0.9686   -1.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8201    3.2778   -1.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  9 11  1  1  0  0  0
  9 15  1  0  0  0  0
  9 10  1  0  0  0  0
  9  5  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
M  END
$$$$

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2022-07-26, 2992👍, 0💬