Molecule FYI-1013472

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A

Molecule Summary:

ID: FYI-1013472
Names:
InChIKey: YCJKVMJWWRDTDL-UHFFFAOYSA-N
SMILES: Nc3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

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

Molecule ID: FYI-1013472 Edit

Molecule Structure InChIKey: YCJKVMJWWRDTDL-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3ccc(NC(=O)CCc2nc1ccccc1s2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013472
FYIcenter.com

 21 23  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
   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  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013472-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    2.2248    1.1634   -2.0506 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8773    0.9819   -1.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3479    1.5835   -0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0226    1.5286   -0.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9038    0.9157   -1.2031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3010    0.8595   -0.9983 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9993    1.3681    0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239    1.9081    1.0784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5019    1.2056   -0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1773    2.5721    0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8467    3.4382   -1.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5736    2.9806   -2.3313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3206    4.0404   -3.1896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9885    3.9364   -4.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7746    5.0947   -5.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8839    6.3505   -4.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2048    6.4808   -3.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4198    5.3110   -2.6194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8290    5.1463   -0.9566 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3840    0.3553   -2.3744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0071    0.4055   -2.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8194    1.3228   -1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5988    0.4547   -2.6726 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9952    2.1095    0.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3637    2.0056    0.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8450    0.4726   -1.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8190    0.5844    0.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7860    0.6730   -0.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8915    3.0739    0.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2641    2.4312    0.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9043    2.9558   -5.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5222    5.0095   -6.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7172    7.2433   -5.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2872    7.4608   -2.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0352   -0.1159   -3.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3672   -0.0055   -3.5741 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
  3  4  2  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  2  0  0  0  0
  6  7  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  2  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  2  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$

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2025-01-07, 1300👍, 0💬