Molecule FYI-1013469

A

Molecule Summary:

ID: FYI-1013469
Names:
InChIKey: IERUDOVBXPZDQG-UHFFFAOYSA-N
SMILES: CN(C)c3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013469 Edit

Molecule Structure InChIKey: IERUDOVBXPZDQG-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)c3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013469
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 S   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013469-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
    3.9911    0.5853    1.5466 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9213    1.8299   -0.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473   -0.4237    0.0836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1567   -0.1991   -0.0449 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9164    0.3934   -1.0243 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8321    1.2604   -0.0221 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7823    0.1381    0.0711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2177    0.7455    0.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6532    0.6394   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9609   -0.3673    0.0512 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4011   -0.0114    0.7536 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1713   -0.0430   -0.6251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7476   -0.2556   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6067    0.8616   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7086   -1.5403    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0000    0.9174   -0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1018   -1.4845    0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6226   -0.4219    1.3115 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2023   -0.5022   -1.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8372    1.0743   -0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9423   -1.4121    0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6260   -0.8720    0.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4207   -0.9124   -0.9248 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6380   -2.4244    0.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0527   -0.5380   -2.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6022    1.7350    0.6694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5753    1.5706   -1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9261    0.9525   -0.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0171   -1.2037    0.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7632   -1.9156    1.0198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7241   -2.1003   -0.7610 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5790   -1.1944    0.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2129   -1.2655   -1.5795 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
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  2  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 28  1  0  0  0  0
  4 13  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  8  2  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
 10 14  2  0  0  0  0
 10 15  1  0  0  0  0
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 11 18  2  0  0  0  0
 12 19  2  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
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 14 29  1  0  0  0  0
 15 17  2  0  0  0  0
 15 30  1  0  0  0  0
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 17 32  1  0  0  0  0
 18 22  1  0  0  0  0
 18 33  1  0  0  0  0
 19 23  1  0  0  0  0
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 21 40  1  0  0  0  0
 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
$$$$

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2025-01-07, 413👍, 0💬