Molecule FYI-1001501

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Molecule Summary:

ID: FYI-1001501
SMILES: CC(C)(C)[C@H](C)NC(=O)C1=C(Cl)N=CC=N1

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001501 Edit

Molecule Structure SMILES String: CC(C)(C)[C@H](C)NC(=O)C1=C(Cl)N=CC=N1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001501
FYIcenter.com

 24 25  0  0  1  0  0  0  0  0999 V2000
   12.2751    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8501    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4253    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6377    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2128    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0004    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7215    6.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    5.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4846    3.9166    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8541    4.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.2753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    3.8830    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4216    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5386    6.6676    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 14 16  1  6  0  0  0
 17 16  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
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001501-3D
FYIcenter.com

 32 32  0  0  1  0  0  0  0  0999 V2000
    2.8402   -2.6853   -2.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4205   -1.3607   -2.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9101   -0.1908   -3.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776   -1.3309   -2.1622 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0052   -1.2936   -0.7445 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5965   -0.0506    0.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4651   -1.4020   -0.7350 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1371   -2.4533   -0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5526   -3.3679    0.4306 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6318   -2.3891   -0.2250 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4731   -3.3622    0.3104 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9903   -4.7583    1.1866 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.8271   -3.2954    0.1861 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3084   -2.2267   -0.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4822   -1.2487   -1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1313   -1.2975   -0.9016 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3339   -2.8156   -3.8347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5820   -3.5472   -2.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9177   -2.7187   -3.0645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890   -0.2523   -4.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0004   -0.1924   -3.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6110    0.7769   -2.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4587   -1.4699   -3.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4949   -0.3757   -1.7884 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4798   -2.1298   -1.5263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6035   -2.1540   -0.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9217    0.8740   -0.4322 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0537   -0.0666    1.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5124   -0.0041    0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0370   -0.6791   -1.1632 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3877   -2.1797   -0.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8911   -0.3953   -1.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  2  1  0  0  0  0
  5 26  1  1  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 16  2  0  0  0  0
 15 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 449👍, 0💬