Molecule FYI-1001009

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A

Molecule Summary:

ID: FYI-1001009
SMILES: CCS(=O)(=O)C1CCC(Nc2nnnc(OCC3CCCCC3)n2)C1

Received at FYIcenter.com on: 2021-10-06

Molecule ID: FYI-1001009 Edit

Molecule Structure SMILES String: CCS(=O)(=O)C1CCC(Nc2nnnc(OCC3CCCCC3)n2)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001009
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    5.8902    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    6.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    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  3  1  0  0  0  0
  5  3  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
  9  5  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 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 11  1  0  0  0  0
 17  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001009-3D
FYIcenter.com

 52 54  0  0  1  0  0  0  0  0999 V2000
    0.7396   -0.4564   -2.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2382   -0.6366   -2.6691 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343    0.8896   -2.1651 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978    1.8697   -3.2086 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6369    1.1621   -0.7961 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7926    0.5418   -2.1767 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2264   -0.5561   -1.2215 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7201   -0.2995   -0.9797 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053    1.1651   -1.3734 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.8864    1.2533   -2.5432 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2665    1.2476   -2.2853 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7611    0.5982   -1.2150 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0447    0.6157   -1.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8584    1.2323   -1.7905 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3312    1.8650   -2.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1573    2.5529   -3.7222 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5486    2.5152   -3.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3635    3.3454   -4.3888 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2275    2.7946   -5.8186 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0478    3.6063   -6.8211 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5160    3.6959   -6.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6701    4.2273   -4.9949 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8501    3.4138   -3.9923 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0326    1.9141   -3.1391 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6188    1.7393   -1.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2708   -1.4067   -3.1373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5222    0.2668   -3.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2595   -0.0980   -1.9439 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6995   -0.9610   -3.6060 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4271   -1.3835   -1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0612    0.2838   -3.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0469   -1.5538   -1.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844   -0.4992   -0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3256   -1.0134   -1.5489 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9459   -0.4596    0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4342    1.7274   -0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7462    2.0732   -3.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9100    1.4785   -3.3704 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6889    2.9495   -2.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9569    4.3660   -4.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1757    2.8043   -6.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5589    1.7487   -5.8452 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6312    4.6180   -6.8989 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9694    3.1525   -7.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0523    4.3468   -7.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9772    2.7031   -6.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3508    5.2765   -4.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7289    4.2096   -4.7106 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9551    3.8623   -2.9975 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2662    2.3999   -3.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6419    2.5437   -2.4441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1843    2.1573   -0.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  2  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 25 51  1  0  0  0  0
 25 52  1  0  0  0  0
M  END
$$$$

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2022-03-29, 904👍, 0💬