Molecule FYI-1000942

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Molecule Summary:

ID: FYI-1000942
SMILES: O=C4N=C(NC23CC1CC(CC(C1)C2)C3)SC45CCC5

Received at FYIcenter.com on: 2021-07-23

Molecule ID: FYI-1000942 Edit

Molecule Structure SMILES String: O=C4N=C(NC23CC1CC(CC(C1)C2)C3)SC45CCC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1000942
FYIcenter.com

 20 24  0  0  0  0  0  0  0  0999 V2000
    8.0469    2.7435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8410    2.6168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0296    3.5178    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219    3.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8717    3.6310    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8216    3.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090    3.0247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0073    1.9928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0434    3.4182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8006    4.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8216    0.9244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5712    0.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4279    1.9746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0131    4.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0486    1.8188    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.2347    1.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002    0.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9321    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3667    1.1321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 14  6  1  0  0  0  0
 15 10  1  0  0  0  0
 15  6  1  0  0  0  0
 16  4  1  0  0  0  0
 17 16  1  0  0  0  0
 17  2  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000942-3D
FYIcenter.com

 42 46  0  0  1  0  0  0  0  0999 V2000
    2.3799    1.9335    1.9038 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7976    0.8500    1.5197 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1379    0.5447    1.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3032   -0.4878    0.5771 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4072   -1.2654    0.4002 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7682   -0.9686    0.8236 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8268   -0.3836    2.2626 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2743   -0.0367    2.6374 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1194   -1.3177    2.6244 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0695   -1.9578    1.2280 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.6613   -0.9607    0.2179 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8286    0.3327    0.2017 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8207    0.9647    1.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3883   -0.0047   -0.1957 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6065   -2.2705    0.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8752   -1.0976   -0.2519 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9684   -0.4322    1.2107 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4375   -0.5379    1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6146   -2.0116    1.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9394   -1.5473    2.3043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3129   -1.9826   -0.3101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4095   -1.1003    2.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2382    0.5322    2.3635 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3000    0.4131    3.6369 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7485   -2.0230    3.3775 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1561   -1.0810    2.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6588   -2.8817    1.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6814   -1.4103   -0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6999   -0.7290    0.4844 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2512    1.0364   -0.5231 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1969    1.8684    1.5981 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8335    1.2763    1.8803 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3757   -0.4649   -1.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7932    0.9136   -0.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1815   -2.9914    1.5588 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5773   -2.7591   -0.1358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0895   -0.3829    0.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462    0.0790    1.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7461   -2.7161    0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1264   -2.4250    2.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7595   -2.2730    2.3056 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8326   -1.1570    3.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$

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2021-09-09, 2742👍, 0💬