Molecule FYI-1006286

A

Molecule Summary:

ID: FYI-1006286
Names:
InChIKey: ZNQPVMQSJWVVQW-UHFFFAOYSA-N
SMILES: O=C4CCC(n3c(=O)c2ccc(CNC(=O)Nc1ccccc1)cc2c3=O)C(=O)N4

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

Molecule ID: FYI-1006286 Edit

Molecule Structure InChIKey: ZNQPVMQSJWVVQW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(n3c(=O)c2ccc(CNC(=O)Nc1ccccc1)cc2c3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006286
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   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
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   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
   11.9523    5.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3217    4.8456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0829    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4829    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4829   10.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1829   11.2654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0829   10.0530    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3829    8.8405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9829    8.8405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9906    6.2693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0537    7.3098    0.0000 O   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
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 18 12  1  0  0  0  0
 19 18  2  0  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  2  0  0  0  0
 23  5  1  0  0  0  0
 24  2  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006286-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
   -3.3035    2.1963    0.8995 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7869    0.2243   -2.3381 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4869   -1.0535    1.7781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8864    2.0902    0.4655 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6800   -0.4457   -1.4518 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9988   -0.1977   -0.3611 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5914    2.0926    0.6805 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4410   -2.1490    0.0934 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0244   -0.5260    0.4709 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2008    0.5479   -0.6246 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.4271   -0.3497   -0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6712    0.4833   -0.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2948    1.6609    0.4037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9481   -1.1320   -0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393   -0.2776   -1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4560   -1.5153    0.6458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7926    1.6088    0.1711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2942   -1.5430   -1.0243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7486   -2.3297    1.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0292   -2.3693   -0.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5129   -2.7589    1.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3805   -2.8471   -0.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0261   -0.9748   -0.3983 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8449    0.6179    0.3337 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7983    0.9130    1.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7004    1.4509   -0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6074    2.0413    1.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6800   -1.2345   -1.9895 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4881   -3.9139   -0.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1876   -1.0840    1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9211    0.2723    2.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860    1.2892   -1.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3497    2.2713    1.9318 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3980    3.2286   -1.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0927    3.7529   -0.0415 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 15  2  0  0  0  0
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  4 18  2  0  0  0  0
  5 24  2  0  0  0  0
  6 10  1  0  0  0  0
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 20 38  1  0  0  0  0
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 21 23  1  0  0  0  0
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 23 40  1  0  0  0  0
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 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 30 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 1179👍, 0💬