Molecule FYI-1001185

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Molecule Summary:

ID: FYI-1001185
SMILES: CC(C)(CCCc1ccc(Br)cc1)C(=O)N(c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2022-02-22

Molecule ID: FYI-1001185 Edit

Molecule Structure SMILES String: CC(C)(CCCc1ccc(Br)cc1)C(=O)N(c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001185
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    5.5497    6.1124    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
    4.1497    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   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
    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
   10.9119    4.2000    0.0000 N   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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    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
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    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
    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
    1.2124    4.2000    0.0000 C   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 Br  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
  2  1  1  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
  6  5  1  0  0  0  0
  7  6  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
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16  9  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22  2  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 25  1  0  0  0  0
 28 27  2  0  0  0  0
 28 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001185-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    0.9381    0.1358    0.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4805   -0.0482    0.1143 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8730   -0.7197    1.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7850   -1.0202   -1.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3697   -0.5520   -2.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7782   -1.5963   -3.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3546   -1.2350   -4.9037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896   -0.4597   -5.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8200   -0.1670   -7.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6087   -0.6403   -7.5351 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1232   -0.2731   -9.3250 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.7556   -1.3892   -6.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1280   -1.6808   -5.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0965    1.3849   -0.0847 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    2.2085   -0.7344 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3392    1.7325    0.4731 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4218    0.8194    0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9025    0.0919   -0.4691 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9647   -0.8020   -0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5660   -0.9598    0.9404 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1189   -0.2151    2.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0559    0.6737    1.8724 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6269    3.1136    0.8287 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5920    4.0059    1.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8602    5.3222    1.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1715    5.7788    1.6307 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2149    4.9252    1.2954 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9443    3.6128    0.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4294   -0.8279    0.3295 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5157    0.6174   -0.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6724    0.7643    1.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2622   -1.6122    1.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7346   -0.0397    2.2931 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9059   -1.0710    1.4521 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2725   -1.9724   -0.8551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8459   -1.2744   -1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2860   -0.4011   -2.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3508   -2.5734   -3.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8670   -1.7348   -3.4830 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1394   -0.0891   -5.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4853    0.4222   -7.6610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1921   -1.7555   -7.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586   -2.2721   -4.7918 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4784    0.2399   -1.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3307   -1.3692   -1.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3921   -1.6567    1.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5960   -0.3241    2.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7088    1.2432    2.7316 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5510    3.6932    1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0373    5.9870    1.8029 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3785    6.7983    1.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2429    5.2757    1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7948    2.9973    0.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 41  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 45  1  0  0  0  0
 19 20  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
 22 49  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 50  1  0  0  0  0
 25 26  1  0  0  0  0
 25 51  1  0  0  0  0
 26 27  2  0  0  0  0
 26 52  1  0  0  0  0
 27 28  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
M  END
$$$$

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2022-04-21, 1855👍, 0💬