Molecule FYI-1002548

A

Molecule Summary:

ID: FYI-1002548
Names:
InChIKey: HUOSKZIQSONQEL-UHFFFAOYSA-N
SMILES: O=C(Nc2ccc1OCOc1c2)c3ccccc3NC(=O)c4ccc(F)cc4F

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002548 Edit

Molecule Structure InChIKey: HUOSKZIQSONQEL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2ccc1OCOc1c2)c3ccccc3NC(=O)c4ccc(F)cc4F

Download SDF Download SVG Structure in 2D SDF:

FYI-1002548
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0218    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5912    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9835    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.8157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.9157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.7157    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7157    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  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  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
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 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19  4  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  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
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002548-3D
FYIcenter.com

 43 46  0     0  0  0  0  0  0999 V2000
   -0.7829    1.2621    0.7626 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6964    5.4780   -0.2102 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7574    1.1305   -1.6377 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8405    1.5842    0.4668 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7715   -1.6255   -1.7917 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2922   -0.5269    0.4429 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3300   -1.5630    0.4912 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0132   -0.7952   -0.0671 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4768   -0.7681    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1211    0.5383   -0.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7396    0.7973    0.6112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6252   -2.7727   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8452   -2.1828   -0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -0.2421   -0.6695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1089   -0.5035    1.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2572    0.2901    1.8001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5669   -1.9353   -0.6230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8454    1.7918   -0.9602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586   -4.1439   -0.3275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9447   -2.9969    0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5581   -4.9578   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1851   -0.0704    0.1784 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.8126    4.1469   -0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5623   -0.3966   -1.6498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145   -1.9068    1.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7095   -0.9145    2.6723 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475    0.4964    2.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7799    2.8679   -1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7916    1.4161   -1.3663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5062   -4.5975   -0.5352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1781   -0.2640   -0.2974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9403   -2.6390    0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4462   -6.0381   -0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6562   -5.0196    0.4258 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8774    4.1292   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 25  1  0  0  0  0
  2 29  1  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  1  0  0  0  0
  4 18  1  0  0  0  0
  5 17  2  0  0  0  0
  6 22  2  0  0  0  0
  7  9  1  0  0  0  0
  7 17  1  0  0  0  0
  7 31  1  0  0  0  0
  8 13  1  0  0  0  0
  8 22  1  0  0  0  0
  8 37  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
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 12 19  2  0  0  0  0
 13 20  2  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 20 23  1  0  0  0  0
 20 38  1  0  0  0  0
 21 23  2  0  0  0  0
 21 39  1  0  0  0  0
 22 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 26 41  1  0  0  0  0
 27 29  2  0  0  0  0
 27 42  1  0  0  0  0
 28 29  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
$$$$

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2023-04-13, 2641👍, 0💬