Molecule FYI-1004500

A

Molecule Summary:

ID: FYI-1004500
Names:
InChIKey: ANCDECWZZZSVRL-NRFANRHFSA-N
SMILES: O=C(Nc3ccc(O[C@H]2C=CN=c1nccc12)c(F)c3)c5cccn(c4ccc(F)cc4)c5=O

Received at FYIcenter.com on: 2023-09-11

Molecule ID: FYI-1004500 Edit

Molecule Structure InChIKey: ANCDECWZZZSVRL-NRFANRHFSA-N

Molecule Structure SMILES String: O=C(Nc3ccc(O[C@H]2C=CN=c1nccc12)c(F)c3)c5cccn(c4ccc(F)cc4)c5=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1004500
FYIcenter.com

 34 38  0  0  1  0  0  0  0  0999 V2000
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0932    6.5674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9161    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0932    8.8326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   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
    0.0000    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 F   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  1  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
 13  9  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  8  1  0  0  0  0
 17  3  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  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 24  2  0  0  0  0
 26 25  1  0  0  0  0
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 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 33 30  1  0  0  0  0
 34  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004500-3D
FYIcenter.com

 50 54  0  0  1  0  0  0  0  0999 V2000
    1.0836    0.5841   -0.5089 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2247    0.2258   -0.2253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8278   -0.9319   -0.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2415   -1.9353   -1.4640 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140   -1.7914   -2.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -2.8575   -2.8221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1196   -4.0773   -2.9196 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4279   -5.0479   -3.5901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1677   -6.1121   -4.1996 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2432   -7.2977   -3.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684   -8.5343   -3.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3206   -8.8690   -4.8447 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1292   -7.8919   -5.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4724   -8.0351   -6.8753 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5527   -6.8393   -7.3522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0157   -5.7939   -6.5107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4677   -6.4749   -5.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641   -4.2014   -2.3000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0590   -5.3455   -2.3449 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9248   -3.1458   -1.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0474    1.0535    0.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766    2.1733    1.1912 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1562    3.0213    2.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3986    2.7217    2.5141 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0586    1.5923    2.0461 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4040    1.3357    2.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3619    2.3588    2.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6828    2.1174    2.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0355    0.8673    3.2402 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3003    0.6419    3.6173 F   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9141    3.3344    3.2489 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0999    3.3306    1.9573 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3930   -1.1174    3.7448 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0530   -0.7255    3.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  2  0  0  0  0
  5  6  2  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 38  1  6  0  0  0
 10 11  2  0  0  0  0
 10 39  1  0  0  0  0
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 11 40  1  0  0  0  0
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 18 19  1  0  0  0  0
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 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 33  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 26  1  0  0  0  0
 25 33  1  0  0  0  0
 26 27  1  0  0  0  0
 26 32  2  0  0  0  0
 27 28  2  0  0  0  0
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 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 49  1  0  0  0  0
 32 50  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 1975👍, 0💬