Molecule FYI-1009286

A

Molecule Summary:

ID: FYI-1009286
Names:
InChIKey: VGYFMXBACGZSIL-MCBHFWOFSA-N
SMILES: O=C(O)C[C@H](O)C[C@H](O)/C=C/c3c(C1CC1)nc2ccccc2c3c4ccc(F)cc4

Received at FYIcenter.com on: 2024-05-06

Molecule ID: FYI-1009286 Edit

Molecule Structure InChIKey: VGYFMXBACGZSIL-MCBHFWOFSA-N

Molecule Structure SMILES String: O=C(O)C[C@H](O)C[C@H](O)/C=C/c3c(C1CC1)nc2ccccc2c3c4ccc(F)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009286
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   13.3368    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   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
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    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
    2.4249    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
    4.8497    2.1000    0.0000 C   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
    8.4871    0.0000    0.0000 F   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
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  1  0  0  0
  7  5  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 24 23  2  0  0  0  0
 24 12  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009286-3D
FYIcenter.com

 55 58  0     1  0  0  0  0  0999 V2000
   -2.0596    4.5034    0.1857 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5758   -3.2836    0.5996 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4477   -0.3948    1.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1769    0.1814   -2.1273 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5326    1.2331   -0.6394 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6452   -1.5855   -0.3038 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9464   -3.2384   -0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5355   -4.1112    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8569   -4.3280   -0.2769 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3220   -1.8151   -0.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3641   -0.8334   -0.3897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7685    0.4617   -0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0468   -0.3248   -0.0541 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1303    0.7435    0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0565   -1.1748   -0.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7672    1.5191   -0.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8889   -1.5624    0.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3470   -1.9242    0.2429 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3994   -0.0442    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5844    2.0472    0.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2246   -1.0012    1.1065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7289   -1.2852    0.9761 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.8512    1.2518    0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9430    2.2992    0.4708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4072    2.2148   -1.1974 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858    1.8174    1.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2427   -1.1606   -0.4600 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2908    3.3077    0.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9130    1.4392    0.5095 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8079   -1.9277   -1.1089 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 30  1  0  0  0  0
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  3 22  1  0  0  0  0
  3 54  1  0  0  0  0
  4 31  1  0  0  0  0
  4 55  1  0  0  0  0
  5 31  2  0  0  0  0
  6 10  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 10  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
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 11 12  2  0  0  0  0
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 18 21  1  0  0  0  0
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 20 24  1  0  0  0  0
 20 41  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 27  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  2  0  0  0  0
 23 46  1  0  0  0  0
 24 45  1  0  0  0  0
 25 28  1  0  0  0  0
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 26 29  2  0  0  0  0
 26 48  1  0  0  0  0
 27 31  1  0  0  0  0
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 28 30  2  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
$$$$

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2024-05-15, 181👍, 0💬