Molecule FYI-1001691

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Molecule Summary:

ID: FYI-1001691
SMILES: CN(C(=O)c1ccccc1)c3cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c3F

Received at FYIcenter.com on: 2022-11-08

Molecule ID: FYI-1001691 Edit

Molecule Structure SMILES String: CN(C(=O)c1ccccc1)c3cccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C(F)(F)F)c3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001691
FYIcenter.com

 55 57  0  0  0  0  0  0  0  0999 V2000
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    4.5981   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -4.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7321   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -3.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301   -1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3301    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4641    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    5.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    6.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.2301    5.8928    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4641    5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    4.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4641    4.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4641    5.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1069    3.4840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.7500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2321    2.1160    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.2321    0.3840    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.2500    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -2.2131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4221   -3.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -6.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 16 18  1  0  0  0  0
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 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 15 40  1  0  0  0  0
 11 40  2  0  0  0  0
 40 41  1  0  0  0  0
  1 42  1  0  0  0  0
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 14 52  1  0  0  0  0
 18 53  1  0  0  0  0
 22 54  1  0  0  0  0
 34 55  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001691-3D
FYIcenter.com

 55 57  0  0  0  0  0  0  0  0999 V2000
    2.3300   -1.4023   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4039    0.0568    0.0028 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0228    0.7701   -1.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6670    0.2207   -2.1931 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9930    2.2628   -1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2946    2.9859   -2.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3623    4.3810   -2.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1395    5.0583   -1.0253 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7809    4.3513    0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6677    2.9629    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2572    0.5993    1.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8249    0.5856    2.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5930    1.2001    3.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8332    1.7546    3.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3087    1.7162    1.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6905    2.2045    1.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3962    2.5651    2.3468 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0685    2.2668    0.0812 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3457    2.6930   -0.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5289    2.0600    0.0969 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5262    0.4517    1.1271 Br  0  0  0  0  0  0  0  0  0  0  0  0
   10.7893    2.5180   -0.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9052    3.5916   -1.2018 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2658    4.1824   -1.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0246    5.2303   -2.4942 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9966    4.8005   -0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2094    4.8531    0.6983 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244    4.1744   -0.0242 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3389    6.0908   -0.6664 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1619    3.1863   -2.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5739    1.9678   -2.4898 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3961    3.6101   -3.6280 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.3712    2.9581   -1.8126 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.7204    4.1824   -1.6827 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4424    3.7490   -1.2622 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2426    4.5139   -1.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8996    1.1632   -0.5974 F   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7663   -1.7362    0.8705 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3442   -1.8175    0.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4792    2.4635   -3.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2300    6.1406   -0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3305    2.4382    0.9539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563    0.1635    2.5942 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2279    1.2478    4.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4358    2.2085    3.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2894    2.4135   -0.5626 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6790    2.0122    0.0589 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7733    5.0252   -2.3753 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 45  1  0  0  0  0
  7  8  1  0  0  0  0
  7 46  1  0  0  0  0
  8  9  2  0  0  0  0
  8 47  1  0  0  0  0
  9 10  1  0  0  0  0
  9 48  1  0  0  0  0
 10 49  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  2  0  0  0  0
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 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  1  0  0  0  0
 19 35  2  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 54  1  0  0  0  0
 23 24  1  0  0  0  0
 23 34  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
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 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
 40 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-21, 2476👍, 0💬