Molecule FYI-1002546

A

Molecule Summary:

ID: FYI-1002546
Names:
InChIKey: FOGWCAAGTYMHSI-UHFFFAOYSA-N
SMILES: Cc1occc1C(=O)Nc2cc(Cl)ccc2C(=O)Nc4ccc3COCc3c4

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002546 Edit

Molecule Structure InChIKey: FOGWCAAGTYMHSI-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1occc1C(=O)Nc2cc(Cl)ccc2C(=O)Nc4ccc3COCc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002546
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.6322    5.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    6.4306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    8.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.4710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    0.2674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
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  5  4  2  0  0  0  0
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  6  2  1  0  0  0  0
  7  3  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
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 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002546-3D
FYIcenter.com

 45 48  0  0  0  0  0  0  0  0999 V2000
    2.0740   -0.0024    0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7044   -0.1784   -0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    0.9888   -0.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2147    0.6873   -0.6850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3092   -0.6602   -0.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0661   -1.2498   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2073   -2.6835   -0.5745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6465   -3.3986   -1.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987   -3.1622   -0.0503 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8416   -4.5233   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2234   -5.4746   -0.9054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5988   -6.8183   -0.8752 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7871   -7.9540   -1.8813 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6102   -7.2462   -0.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2744   -6.3170    0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9206   -4.9527    0.7394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6543   -3.9950    1.6267 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0547   -2.9934    2.0096 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9873   -4.2902    1.8824 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333   -3.6041    2.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3389   -2.7425    3.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2021   -2.0687    4.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5618   -2.2704    4.5170 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6757   -1.6656    5.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2185   -3.8188    2.6934 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0382   -6.6864    1.4541 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2723   -2.5910    3.9142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8029   -1.4028    5.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.9438   -4.1314    3.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0095   -2.7445    2.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401   -4.4840    1.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
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 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 28  2  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  2  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 28 45  1  0  0  0  0
M  END
$$$$

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2023-04-13, 501👍, 0💬