Molecule FYI-1006766

A

Molecule Summary:

ID: FYI-1006766
Names:
InChIKey: WQILIMVRGXPABZ-UHFFFAOYSA-N
SMILES: CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(N)F)c1

Received at FYIcenter.com on: 2024-01-14

Molecule ID: FYI-1006766 Edit

Molecule Structure InChIKey: WQILIMVRGXPABZ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(=O)Nc1ccc(OCC(O)CNC(C)C)c(C(N)F)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006766
FYIcenter.com

 24 24  0  0  0  0  0  0  0  0999 V2000
   16.9742    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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 21  7  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006766-3D
FYIcenter.com

 52 52  0  0  1  0  0  0  0  0999 V2000
    2.6159   -3.2610    0.7628 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127   -2.7345   -0.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0281   -1.3554   -0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5176   -1.3308   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9651   -0.6033    0.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2532   -2.1558   -1.4432 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6441   -2.3743   -1.3438 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3615   -2.0465   -0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7446   -2.1835   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4432   -2.6788   -1.2559 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8096   -2.8045   -1.2910 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5219   -2.3024   -0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0307   -2.3930   -0.4065 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.3933   -3.7595   -0.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4613   -1.5346   -1.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1381   -0.1195   -1.4058 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4865    0.7325   -2.5476 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7431    0.3368   -3.8261 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1365    2.1782   -2.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7297   -3.0974   -2.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4509   -3.6804   -3.5996 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
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  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  2  0  0  0  0
  8  9  2  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
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 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  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  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 49  1  0  0  0  0
 22 50  1  0  0  0  0
 22 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END
$$$$

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2024-01-24, 265👍, 0💬