Molecule FYI-1006931

A

Molecule Summary:

ID: FYI-1006931
Names:
InChIKey: JGUNNYHUGKTNCF-UHFFFAOYSA-N
SMILES: CC(C)(C)c3cc(C(=O)N2CCN(c1ccccc1)CC2)cc(C(C)(C)C)c3O

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006931 Edit

Molecule Structure InChIKey: JGUNNYHUGKTNCF-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c3cc(C(=O)N2CCN(c1ccccc1)CC2)cc(C(C)(C)C)c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006931
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   11.4243    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8243    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
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 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006931-3D
FYIcenter.com

 63 65  0     0  0  0  0  0  0999 V2000
    4.7463   -1.1047    0.9345 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4992    2.0385   -2.4480 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9981    0.9511   -1.0216 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6835    0.3608   -0.1164 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8091   -2.8155   -0.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5757   -0.7381   -0.8595 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5992   -3.4840   -0.9723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7928    1.5013    2.4895 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1945    3.2404    0.8164 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 63  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 942👍, 0💬