Molecule FYI-1013721

A

Molecule Summary:

ID: FYI-1013721
Names:
InChIKey: ZXDRNATWYDUMCX-UHFFFAOYSA-N
SMILES: Cc4ccc(C(=O)C1CC(=O)Nc2c1c(C)nn2c3ccc(C)c(C)c3)s4

Received at FYIcenter.com on: 2025-01-23

Molecule ID: FYI-1013721 Edit

Molecule Structure InChIKey: ZXDRNATWYDUMCX-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(C(=O)C1CC(=O)Nc2c1c(C)nn2c3ccc(C)c(C)c3)s4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013721
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.4530    0.5376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8835    1.8166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5835    3.0290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6468    4.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3679    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1553    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1553    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9429    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9429    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7305    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7305    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5180    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7305    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4395    5.5693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3762    6.6098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0470    5.7158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4776    4.4367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    4.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1714    5.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    4.8951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3695    3.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    2.5232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8736    1.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756    2.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5142    2.1077    0.0000 S   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 26 19  1  0  0  0  0
 27  5  1  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013721-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
   -4.9555    0.6250   -1.5876 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4153   -3.6497   -0.2585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0035    0.3540   -1.3929 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7255    0.4789    0.4964 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7561   -1.7079    0.0742 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3547    1.7057    0.9176 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7577   -0.3570    0.8602 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4308    0.2845    0.8361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6139   -1.8915    0.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6905   -0.3979    0.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0361    1.5804    1.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3871   -2.4871    0.1527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5565    0.0684   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0584    0.2260    0.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7437    2.7420    1.5806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0408    0.1414   -0.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8594    1.2482   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5913   -1.0493    0.3638 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1932    0.9951   -0.6552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7260   -0.2801   -0.4663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8408   -0.1358    0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9250   -1.3024    0.0429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4266    0.4645   -0.7261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2229    0.0513    0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0325    2.1042   -1.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1512   -0.5756   -0.8011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7050    0.7648   -1.4066 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5788   -2.0966   -0.3671 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3942    1.8572   -2.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3434   -0.3950   -1.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8249    0.0424   -0.1988 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067   -1.6220   -0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7318    1.8046   -1.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8520    0.1098   -2.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5549    0.6171   -0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 23  1  0  0  0  0
  2 12  2  0  0  0  0
  3 13  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 31  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 11 15  1  0  0  0  0
 13 16  1  0  0  0  0
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 14 18  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  2  0  0  0  0
 17 19  1  0  0  0  0
 17 35  1  0  0  0  0
 18 22  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 25  1  0  0  0  0
 20 22  1  0  0  0  0
 20 26  1  0  0  0  0
 21 24  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  2  0  0  0  0
 23 27  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
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 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$

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2025-02-16, 891👍, 0💬