Molecule FYI-1005806

A

Molecule Summary:

ID: FYI-1005806
Names:
InChIKey: FPMSPPWPOVTLLT-UHFFFAOYSA-N
SMILES: O=[N+](O)c1ccccc1Nc4nccc(Nc2ccc(F)cc2N3CCOCC3)n4

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005806 Edit

Molecule Structure InChIKey: FPMSPPWPOVTLLT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c1ccccc1Nc4nccc(Nc2ccc(F)cc2N3CCOCC3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005806
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    1.2125    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.1999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.1999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005806-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    5.0107    7.8613   -1.0082 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0386    7.4707   -1.5236 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.2244    8.0624   -1.1464 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0303    6.4499   -2.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0309    6.5091   -3.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1318    5.5016   -4.4817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2466    4.4295   -4.4473 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2509    4.3726   -3.4695 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1094    5.3865   -2.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0931    5.3303   -1.5472 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4326    4.2300   -1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0915    3.0797   -0.8198 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4212    2.0955   -0.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1153    2.2131    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880    3.4120   -0.0798 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023    3.4927    0.1543 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9180    4.2567   -0.4619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6058    5.3704   -1.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5945    6.1160   -1.9007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9097    5.7251   -1.7713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8713    6.4213   -2.3928 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2539    4.6181   -1.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2857    3.8597   -0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6856    2.8120    0.5056 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0060    2.8038    1.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8121    2.3197    2.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1767    1.0287    2.6649 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9055    1.0541    1.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0643    1.4781    0.5143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1548    4.4191   -0.6632 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8660    8.6412   -0.4531 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5666    3.5264   -3.4748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4971    6.1507   -1.5152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9806    1.1773   -0.0588 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5987    1.3803    0.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4167    5.7109   -1.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6734    2.1193    0.6235 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2036    3.0381    3.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4756    0.0503    2.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2378    1.7390    2.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7339    0.7710    0.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1081    1.4227   -0.0092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 30  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
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 15 16  1  0  0  0  0
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 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
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 24 29  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
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 26 45  1  0  0  0  0
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 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 2806👍, 0💬