Molecule FYI-1014340

A

Molecule Summary:

ID: FYI-1014340
Names:
InChIKey: LUMNFZCZEDAQNJ-UHFFFAOYSA-N
SMILES: O=C2CC4OCCC5CN6CCC37c1ccccc1N2C3C4C5CC67

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014340 Edit

Molecule Structure InChIKey: LUMNFZCZEDAQNJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2CC4OCCC5CN6CCC37c1ccccc1N2C3C4C5CC67

Download SDF Download SVG Structure in 2D SDF:

FYI-1014340
FYIcenter.com

 25 31  0  0  0  0  0  0  0  0999 V2000
    6.2305    6.2650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0672    5.5934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8502    6.1616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7495    5.3918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0339    5.4811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0259    3.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9018    1.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198    0.4441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012    0.5380    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5320    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4240    1.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7445    2.1630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0564    2.4511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1484    1.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3718    2.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5030    3.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4110    4.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1107    4.1466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1790    2.0148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4326    1.8747    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
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 22 21  1  0  0  0  0
 22  4  1  0  0  0  0
 23 22  1  0  0  0  0
 23  8  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 10  1  0  0  0  0
 25 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014340-3D
FYIcenter.com

 49 55  0  0  1  0  0  0  0  0999 V2000
    1.6193    0.2963    0.1115 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7779    0.2014   -0.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5192   -1.1140   -0.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4638   -1.2503   -1.4424 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8148   -2.6214   -1.5601 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1562   -3.0410   -1.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9871   -2.5445   -0.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7415   -1.2358   -0.7390 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3694   -0.5897    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6153    0.5420    1.0883 N   0  0  3  0  0  0  0  0  0  0  0  0
    6.4258    0.0634    1.7797 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4877    1.2281    1.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6717    1.8243    0.3261 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6876    3.0274    0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7344    4.3173    0.8064 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5427    5.1023    0.7823 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3262    4.5850    0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2496    3.2829   -0.1704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4224    2.5573   -0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5791    1.2601   -0.6745 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980    1.1489   -0.8962 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4904   -0.1135   -1.5896 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.0348   -0.1870   -1.6110 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6332    1.2231   -1.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2141    1.6428    0.1390 C   0  0  3  0  0  0  0  0  0  0  0  0
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    3.7887   -1.1136   -2.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6452   -0.2829    2.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3163    1.9725   -2.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7440    2.5555    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
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  4 22  1  0  0  0  0
  4 28  1  0  0  0  0
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  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
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  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
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 12 13  1  0  0  0  0
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 12 39  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
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 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 24 48  1  0  0  0  0
 25 49  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1922👍, 0💬