Molecule FYI-1001787

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A

Molecule Summary:

ID: FYI-1001787
SMILES: C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N

Received at FYIcenter.com on: 2022-12-07

Molecule ID: FYI-1001787 Edit

Molecule Structure SMILES String: C1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001787
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    8.3798    0.7952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9894    1.8510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1735    2.7569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0599    2.2611    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1873    1.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0041    2.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0041    4.0898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9484    2.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8925    2.8706    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8368    2.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6176    2.2611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0127    1.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8368    0.1495    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4463    1.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8049    3.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0436    2.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0240    3.6688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1953    4.7245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4271    3.9494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6806    5.1419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 19 17  1  0  0  0  0
 19 10  1  0  0  0  0
 20 17  1  0  0  0  0
  3 21  1  6  0  0  0
 22 21  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001787-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    2.3516   -0.5736   -0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   -0.5374   -1.9347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4785    0.4313   -1.6926 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9793    1.3335   -0.6462 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2420    0.8645   -0.1052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4402    2.5439   -0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9587    3.2044    0.6622 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8326    2.9916   -0.9694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9738    4.4523   -1.0353 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1715    4.9152   -1.7608 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.4709    4.3881   -1.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7161    4.8972   -1.8287 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.6560    4.4253   -3.2910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4061    4.9951   -3.9836 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1555    4.4863   -3.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4958    8.4088   -2.4098 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7378   -0.2998   -1.2833 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.0355    1.4875   -0.5329 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
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  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
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  3 27  1  6  0  0  0
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  4  6  1  0  0  0  0
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  6  8  1  0  0  0  0
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 12 18  1  0  0  0  0
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 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
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 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
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 16 17  1  0  0  0  0
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 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 20 47  1  0  0  0  0
 21 22  3  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-06, 641👍, 0💬