Molecule FYI-1007907

A

Molecule Summary:

ID: FYI-1007907
Names:
InChIKey: DSVUNNPWRFEFBI-UHFFFAOYSA-N
SMILES: Fc1ccccc1Nc4nccc(Nc3ccc(CN2CCOCC2)cc3Cl)n4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007907 Edit

Molecule Structure InChIKey: DSVUNNPWRFEFBI-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1ccccc1Nc4nccc(Nc3ccc(CN2CCOCC2)cc3Cl)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007907
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 N   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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    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  2  0  0  0  0
  6  5  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  7  1  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
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 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  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
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  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
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007907-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    3.1253   -7.0071    0.9923 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7948   -8.0389    1.5313 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3953   -9.3267    1.1829 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1058  -10.4240    1.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2288  -10.2245    2.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6233   -8.9290    2.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8816   -7.8177    2.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3220   -6.5342    2.7723 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4896   -5.4292    2.9892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2437   -5.5958    3.4561 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4967   -4.4916    3.5987 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9551   -3.2272    3.3254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2669   -3.1369    2.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8288   -1.8536    2.7066 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2285   -1.6245    2.6460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0770   -2.2189    3.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4655   -2.1085    3.4943 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0462   -1.3857    2.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5476   -1.3004    2.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2300   -2.2913    1.4710 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7796   -2.4439    0.0836 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7410   -3.5585   -0.1447 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1532   -4.8050    0.4308 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4232   -4.6578    1.8292 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5025   -3.5962    2.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1998   -0.6993    1.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8082   -0.8066    1.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8219    0.0697    0.5489 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -4.2334    2.7369 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5334   -9.4594    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7914  -11.4313    1.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7953  -11.0778    2.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4951   -8.7883    3.4476 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7901   -0.3057    1.9056 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6711   -2.7106   -0.5002 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7815   -5.6275    2.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4933   -4.4370    2.3602 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4304   -3.9623    1.6188 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7193   -3.5071    3.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6296   -0.0811    0.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  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  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  2  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
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 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 143👍, 0💬