Molecule FYI-1006262

A

Molecule Summary:

ID: FYI-1006262
Names:
InChIKey: UWLXMDBDYJMMAM-UHFFFAOYSA-N
SMILES: Oc5ccc4NC2C(CCN3CC1CC(O)OCC1CC23)c4c5

Received at FYIcenter.com on: 2023-12-06

Molecule ID: FYI-1006262 Edit

Molecule Structure InChIKey: UWLXMDBDYJMMAM-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc5ccc4NC2C(CCN3CC1CC(O)OCC1CC23)c4c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006262
FYIcenter.com

 23 27  0  0  0  0  0  0  0  0999 V2000
    8.6011   10.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3887   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1764   10.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638   10.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    8.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    7.8201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929    6.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8853    6.6875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7081    5.5548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    4.1296    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    1.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.1764    8.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3887    8.7568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21  7  1  0  0  0  0
 21 11  1  0  0  0  0
 22  8  1  0  0  0  0
 22  5  1  0  0  0  0
 23 22  2  0  0  0  0
 23  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006262-3D
FYIcenter.com

 47 51  0  0  1  0  0  0  0  0999 V2000
    1.4547   -0.2191    0.7588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159    0.0457    0.7396 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0435    1.6857    0.5027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6166    1.9527    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9117    0.4902    0.1708 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8881    0.0581   -1.2628 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6893    0.8436   -0.4597 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6185   -0.1803    0.8709 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5993    0.8380    1.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9438    2.1879    1.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7170    2.5799    1.1671 N   0  0  3  0  0  0  0  0  0  0  0  0
    5.4727    1.9931    2.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4893    0.5930    1.5856 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.3134   -0.3143    2.7737 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6482   -1.9057    2.1007 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4768   -2.2774    2.8134 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1685   -1.3917   -0.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1989    0.1946   -0.6020 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3192    1.4344   -1.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8106    2.1611   -0.5808 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.0043   -0.9551    0.5961 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3520   -1.1742    0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2907   -2.2780    0.7566 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
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  8 29  1  0  0  0  0
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 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
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 15 16  1  0  0  0  0
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 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 1400👍, 0💬