Molecule FYI-1013470

A

Molecule Summary:

ID: FYI-1013470
Names:
InChIKey: ILMYTTYCVHZMBU-UHFFFAOYSA-N
SMILES: Cc3cc(NC(=O)CCc2nc1ccccc1s2)ccc3N(C)C

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

Molecule ID: FYI-1013470 Edit

Molecule Structure InChIKey: ILMYTTYCVHZMBU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(NC(=O)CCc2nc1ccccc1s2)ccc3N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013470
FYIcenter.com

 24 26  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
   11.5904    7.0959    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
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    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
 10  8  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
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 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013470-3D
FYIcenter.com

 45 47  0     0  0  0  0  0  0999 V2000
    2.7245    0.1667    1.7292 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.4429    0.8483   -1.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5581   -1.2381    0.2362 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929    2.0247    0.0004 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7149    1.1127   -0.4564 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4040   -0.4272    0.1678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1182    2.6302    0.6613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1812    2.9279   -0.5264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3158   -0.7995   -0.6214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1404    1.1995    0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1841    0.0138   -0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8909    1.3758    0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3605    0.7584    0.9013 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1708    1.8090   -0.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2288    1.5718    0.8456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8512   -0.8205    0.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2737   -0.1438   -0.2727 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8453   -0.7158   -0.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4664   -2.6037    0.7104 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3270   -2.1015    1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2054   -0.7737   -1.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.4003   -2.5318   -1.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  2 14  2  0  0  0  0
  3  6  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 10  1  0  0  0  0
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  4 32  1  0  0  0  0
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  5 17  1  0  0  0  0
  6  9  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 14  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
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 11 29  1  0  0  0  0
 13 15  2  0  0  0  0
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 15 31  1  0  0  0  0
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 16 21  2  0  0  0  0
 17 22  2  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 19 38  1  0  0  0  0
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 22 24  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
$$$$

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2025-01-07, 422👍, 0💬