Molecule FYI-1001755

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A

Molecule Summary:

ID: FYI-1001755
SMILES: CON(C)C1N=C([C@H](C)NC(=O)C2C=C(C=C(OC(F)(F)F)C=2)S(=O)(C)=O)N(N=1)C3=NC=CC=N3

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

Molecule ID: FYI-1001755 Edit

Molecule Structure SMILES String: CON(C)C1N=C([C@H](C)NC(=O)C2C=C(C=C(OC(F)(F)F)C=2)S(=O)(C)=O)N(N=1)C3=NC=CC=N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001755
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
   13.7464    1.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769    2.3037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7846    2.4500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9617    1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2153    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    4.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4248    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1497    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.1124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9784    5.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    4.9414    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2696    7.3513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    8.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5202    9.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517   10.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8920    9.1532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    7.7839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
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 28  7  1  0  0  0  0
 29 28  1  0  0  0  0
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 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001755-3D
FYIcenter.com

 55 57  0  0  1  0  0  0  0  0999 V2000
    8.9576   -4.0580    1.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0175   -2.8815    1.8126 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1754   -2.1677    1.4373 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1161   -2.0921    2.5510 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918   -1.0377    0.6944 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8691   -0.9196   -0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9241    0.3174   -0.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9257    0.9639   -1.4585 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.7840    1.5857   -0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4392   -0.0637   -2.3754 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6507    0.2474   -3.4584 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2691    1.3814   -3.7248 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2608   -0.8715   -4.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0263   -0.8120   -5.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6873   -1.8209   -5.9117 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5567   -2.8907   -6.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8142   -2.9079   -5.5581 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7748   -3.8501   -5.7679 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9163   -4.4174   -7.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1292   -3.8486   -8.0053 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1994   -4.2661   -7.4633 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.6421   -5.7367   -7.0075 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1513   -1.9160   -4.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1491   -1.7422   -6.7918 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2415   -0.9221   -6.0180 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844   -0.8585   -8.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7967   -3.1013   -7.1625 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0743    0.9242   -0.0718 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8084    0.0151    0.6251 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4785    2.2934   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
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  5  6  1  0  0  0  0
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 17 23  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 22  1  0  0  0  0
 23 49  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 24 27  2  0  0  0  0
 26 50  1  0  0  0  0
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 28 29  1  0  0  0  0
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 33 34  1  0  0  0  0
 33 54  1  0  0  0  0
 34 35  2  0  0  0  0
 34 55  1  0  0  0  0
M  END
$$$$

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2022-12-14, 193👍, 0💬