Molecule FYI-1003023

A

Molecule Summary:

ID: FYI-1003023
Names:
InChIKey: XHFXUIRLZODARB-UHFFFAOYSA-N
SMILES: CNS(=O)(=O)c2c(F)c(F)c(SCCc1ccc(C(=O)O)cc1)c(F)c2NC3CCCCCCC3

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003023 Edit

Molecule Structure InChIKey: XHFXUIRLZODARB-UHFFFAOYSA-N

Molecule Structure SMILES String: CNS(=O)(=O)c2c(F)c(F)c(SCCc1ccc(C(=O)O)cc1)c(F)c2NC3CCCCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003023
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
   10.9120    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    4.9000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.0435    9.4227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5076    8.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0435    6.8357    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
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 10  1  0  0  0  0
 15 14  2  0  0  0  0
 15  7  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 21  2  0  0  0  0
 26 20  2  0  0  0  0
 26  2  1  0  0  0  0
 27 26  1  0  0  0  0
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 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 35 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003023-3D
FYIcenter.com

 64 66  0  0  0  0  0  0  0  0999 V2000
    2.3943    1.7998    0.6682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5858    0.6073   -0.1543 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1619    0.8026   -1.7238 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7427   -0.3714   -2.4522 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713    2.1190   -2.1907 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9249    0.7726   -1.5353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5619   -0.4635   -1.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8679   -1.6024   -1.8011 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9504   -0.5536   -1.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5187   -1.7583   -1.8259 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7364    0.5738   -1.4613 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5310    0.4976   -1.4188 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.9684   -0.2571   -3.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    0.6740   -4.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0950    0.1693   -5.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2039   -0.5418   -6.4046 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5220   -0.8291   -7.7403 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7593   -0.4339   -8.2693 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1138   -0.5865   -9.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9118    0.1477  -10.2717 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4885   -1.6047  -10.3422 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6782    0.2125   -7.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3536    0.5084   -6.1062 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0767    1.7961   -1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  2  0  0  0  0
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 34 62  1  0  0  0  0
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 35 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1948👍, 0💬