Molecule FYI-1006289

A

Molecule Summary:

ID: FYI-1006289
Names:
InChIKey: BGUQNEVRTLOSJR-UHFFFAOYSA-N
SMILES: O=C4CCC(N3Cc2cc(CNC(=O)Nc1cccc(Cl)c1)ccc2C3=O)C(=O)N4

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006289 Edit

Molecule Structure InChIKey: BGUQNEVRTLOSJR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(N3Cc2cc(CNC(=O)Nc1cccc(Cl)c1)ccc2C3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006289
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
   17.4538    7.3641    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   17.4538    5.9641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2414    5.2641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2414    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0290    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.8165    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8165    5.2641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6041    3.1641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3916    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1792    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    1.0641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7543    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4228    3.5967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4641    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5000    3.6765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4000    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.2517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.2517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    0.0392    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9902    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9668    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4538    3.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6663    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6663    5.2641    0.0000 C   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
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
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 11 10  2  0  0  0  0
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 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 23 17  1  0  0  0  0
 24 23  2  0  0  0  0
 25 16  1  0  0  0  0
 25 13  1  0  0  0  0
 26 25  2  0  0  0  0
 27 14  2  0  0  0  0
 27 10  1  0  0  0  0
 28  4  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006289-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
    8.7375    1.5789    1.8910 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5662   -1.7687    2.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5327   -0.8335   -1.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3458    3.3628   -0.5990 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9965   -0.1190   -1.7124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4361   -0.2870    0.4964 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3924    1.2812   -0.8651 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9516   -2.2008   -0.7074 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6277   -0.7338   -0.1403 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6326    0.4963    0.6549 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5126   -0.0488   -0.6065 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4608   -1.0749   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7678   -1.8195    0.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0324   -1.3201    1.3350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5987    2.7639    0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3116   -1.3423   -1.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5148    2.5240   -0.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9614   -2.8404    1.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5228   -2.3716   -0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2005   -3.1136    0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7734   -2.6873   -1.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7043    3.5643    0.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
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 29 48  1  0  0  0  0
 30 49  1  0  0  0  0
M  END
$$$$

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2023-12-14, 1197👍, 0💬