Molecule FYI-1001614

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A

Molecule Summary:

ID: FYI-1001614
SMILES: CN(C1CC1)C(=O)c2cc(cnc2Cl)c3cnn(c3)c4c(Cl)cc(cc4Cl)C(F)(C(F)(F)F)C(F)(F)F

Received at FYIcenter.com on: 2022-10-04

Molecule ID: FYI-1001614 Edit

Molecule Structure SMILES String: CN(C1CC1)C(=O)c2cc(cnc2Cl)c3cnn(c3)c4c(Cl)cc(cc4Cl)C(F)(C(F)(F)F)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001614
FYIcenter.com

 37 40  0  0  0  0  0  0  0  0999 V2000
   15.6121    4.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4060    4.1776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2001    4.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8075    4.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5038    6.0799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4060    2.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6121    2.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2001    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9941    2.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7881    2.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7881    0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9941    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2001    0.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4060    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.5821    2.7851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4366    4.1700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0744    4.4595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3781    3.2535    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3100    2.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9932    3.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1747    4.2346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7412    5.5067    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7898    4.0891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235    2.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420    1.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4269    1.8358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2454    0.7092    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8386    2.6713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0200    3.7979    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6570    1.5448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9898    2.5130    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4755    0.4182    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5495    0.6602    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2721    1.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    0.7676    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.7057    0.1270    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.9656    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  3  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  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
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 10  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
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 27 26  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 30  1  0  0  0  0
 34 28  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001614-3D
FYIcenter.com

 51 54  0  0  0  0  0  0  0  0999 V2000
    8.0305    3.5447    3.1599 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5403    2.2006    2.8859 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9104    1.1678    3.8218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8528    0.3780    4.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7698    1.2777    5.3181 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9233    2.0124    1.6263 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7776    2.9481    0.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4509    0.6679    1.1999 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279   -0.4710    1.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7639   -1.7504    1.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5411   -1.8328    0.4769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7966   -0.7540    0.1369 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2687    0.4720    0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2109    1.7242   -0.0293 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5338   -2.9240    1.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6096   -4.2043    0.9074 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4567   -5.0098    1.5378 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9631   -4.2641    2.5568 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4288   -2.9927    2.5257 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8898   -4.8045    3.4820 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8846   -5.7082    3.0497 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2097   -6.0990    1.3920 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7797   -6.2730    3.9712 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7332   -5.9490    5.3366 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7580   -5.0420    5.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8425   -4.4756    4.8473 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6207   -3.4924    5.5901 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.7356   -6.5881    6.3192 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5710   -7.4164    5.5762 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.6430   -5.5455    6.9777 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5377   -4.3252    6.3728 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4150   -5.3137    8.2878 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.9500   -5.8888    6.8671 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0506   -7.4749    7.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7025   -7.5293    7.1791 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.4782   -8.7598    7.2762 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.2253   -7.1057    8.6500 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.5023    3.6068    4.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1910    4.2460    3.1170 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7615    3.8198    2.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8425    0.6842    3.5375 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9889   -0.6933    4.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8177    0.6878    4.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5344    0.8048    5.9283 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3571    2.1781    5.7522 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2197   -0.3633    1.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0959   -2.7861    0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0886   -4.5898    0.0358 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7492   -2.2404    3.2342 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5462   -6.9596    3.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6778   -4.7737    6.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4 42  1  0  0  0  0
  4 43  1  0  0  0  0
  5 44  1  0  0  0  0
  5 45  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 47  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  2  0  0  0  0
 16 17  2  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  2  0  0  0  0
 24 28  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 34  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 33  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1915👍, 0💬