Molecule FYI-1000939

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Molecule Summary:

ID: FYI-1000939
SMILES: N#CN1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)C1

Received at FYIcenter.com on: 2021-07-20

Molecule ID: FYI-1000939 Edit

Molecule Structure SMILES String: N#CN1CCC(C(=O)Nc2ncc(-c3ccccc3)s2)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000939
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
   12.6847    6.3987    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    6.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9001    6.6913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2001    7.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8306    7.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6843    6.2204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    5.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4719    4.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2594    6.2204    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0470    5.5204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    6.0897    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    5.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    3.8370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    4.1281    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.9632    5.6510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  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
  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
 16 15  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
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 20 10  1  0  0  0  0
 21  6  1  0  0  0  0
 21  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000939-3D
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    7.9597   -2.9351   -2.8309 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6107   -2.1563   -2.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2105   -1.1856   -1.2099 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0681   -0.0594   -0.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1154    1.0883   -0.4393 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7457    0.6566   -0.9540 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3969    1.1597   -2.3543 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3939    1.8590   -2.4941 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2312    0.7503   -3.3712 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9942    1.1776   -4.6520 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2626    2.1979   -5.0195 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2078    2.2517   -6.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8980    1.2627   -7.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9856    1.0533   -8.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9242    2.1634   -9.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9535    2.0019  -10.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0414    0.7257  -11.3054 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0889   -0.3875  -10.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0588   -0.2255   -9.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7233    0.2823   -5.9051 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.7964   -0.8600   -0.8866 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7685    0.2221   -1.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6419   -0.3564    0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4741    2.0325   -0.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0776    1.2167    0.6503 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9569    1.0387   -0.2887 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9106    0.0147   -3.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6241    3.0381   -6.8504 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8459    3.1707   -8.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9002    2.8722  -11.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0634    0.5984  -12.3845 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1372   -1.3849  -10.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0629   -1.1124   -8.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1028   -1.3546   -1.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5860   -1.2096    0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 30  1  0  0  0  0
 17 18  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 21 34  1  0  0  0  0
 21 35  1  0  0  0  0
M  END
$$$$

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2021-08-13, 2441👍, 0💬