Molecule FYI-1001314

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A

Molecule Summary:

ID: FYI-1001314
SMILES: COC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCC(F)C)[C@@H]1C3CC3

Received at FYIcenter.com on: 2022-05-13

Molecule ID: FYI-1001314 Edit

Molecule Structure SMILES String: COC(=O)[C@@H]1[C@H]2CC[C@H](N2CCCC(F)C)[C@@H]1C3CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001314
FYIcenter.com

 20 22  0  0  1  0  0  0  0  0999 V2000
    9.7432    5.3227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1944    4.0899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8524    3.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0594    5.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3036    2.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9838    2.4357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6230    1.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2977    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0754    0.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8427    1.0938    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5251    0.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5057    1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3372    0.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    1.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1685    2.4431    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783    1.5477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3202    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4118    0.6135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5529    1.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  2  0  0  0  0
  5  3  1  1  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 10  1  1  0  0  0
  6 10  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17  9  1  0  0  0  0
 17  5  1  0  0  0  0
 17 18  1  1  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001314-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
    1.2116   -2.1306    1.9674 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6290   -2.0782    1.7944 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0672   -0.9733    1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3463   -0.0344    0.8112 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5645   -1.0604    0.8915 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1251    0.2413    0.2746 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.6443    0.2929    0.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1811   -0.7779   -0.4363 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8936   -1.3011   -1.1073 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1958   -0.0081   -1.1754 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9339    0.0113   -1.9061 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3244    1.4153   -2.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2347    2.3840   -2.7685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5921    3.7570   -2.9196 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3649    4.2793   -1.6825 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5032    4.7113   -3.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1169   -2.1514   -0.0672 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1388   -3.1697   -0.6086 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6468   -4.2848   -1.4964 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -3.2799   -2.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9827   -2.9598    2.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7279   -2.3192    1.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8307   -1.2072    2.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0046   -1.1929    1.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6319    1.1674    0.5816 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1050   -1.7791   -2.0664 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1822   -0.6611   -1.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1229   -0.3377   -2.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0963    1.8149   -1.0181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3655    1.3334   -2.5396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4609    1.9728   -3.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1826    2.4896   -2.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6261    3.6806   -3.4299 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4357    4.8678   -3.1163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0233    5.6892   -3.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7446    4.3319   -4.6664 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8443   -2.7443    0.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4726   -3.5329    0.1664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2775   -5.2886   -1.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6680   -4.2535   -1.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -3.5892   -2.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0584   -2.6193   -2.8127 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  5 24  1  1  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 25  1  1  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
  9 30  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
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 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
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 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 20 45  1  0  0  0  0
 20 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-15, 1560👍, 0💬