Molecule FYI-1003648

A

Molecule Summary:

ID: FYI-1003648
Names:
InChIKey: RSNMSLWCZGKIHM-UHFFFAOYSA-N
SMILES: Nc4noc5ccc(c1ccccc1Oc3cc(F)c(S(=O)(=O)Nc2ncns2)cc3F)cc45

Received at FYIcenter.com on: 2023-07-14

Molecule ID: FYI-1003648 Edit

Molecule Structure InChIKey: RSNMSLWCZGKIHM-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc4noc5ccc(c1ccccc1Oc3cc(F)c(S(=O)(=O)Nc2ncns2)cc3F)cc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003648
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    9.6844    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6844    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    8.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    7.8158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2595    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    8.5158    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092    7.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8968    9.9158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092    9.2158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0471    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8346    6.4158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3694    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9389    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    0.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5700    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1092   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4721    9.9158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   14.3249   11.0868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.2555   12.0081    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4721    4.3158    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
 28 30  2  0  0  0  0
  6 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003648-3D
FYIcenter.com

 47 51  0     0  0  0  0  0  0999 V2000
    4.1022   -2.4250    0.3042 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.2116    1.5160    1.4314 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513   -1.5562    2.1676 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9970   -0.1770   -3.0390 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8448    0.5091   -1.0957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9467   -1.9869    1.0467 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7415   -3.4917    1.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7997   -2.7714   -0.9281 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138   -1.2485    1.1720 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3743   -2.2518   -0.2486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7588   -1.3465   -2.3807 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4225    0.2060   -0.7273 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    2.4327    0.0603 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1417    0.9393    0.5291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1582    1.9739    0.2860 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7786   -0.6222   -0.2908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0440    1.7274   -0.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8311    0.3779   -0.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6423   -1.5587   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9952   -1.0141    1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3881    0.5172    1.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123   -0.1751   -0.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3295   -0.4794    2.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3360    3.2300    0.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7248   -1.2209    0.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  7  2  0  0  0  0
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  3 25  1  0  0  0  0
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 32 43  1  0  0  0  0
 34 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 1870👍, 0💬