Molecule FYI-1015430

A

Molecule Summary:

ID: FYI-1015430
Names:
InChIKey: WIHPHWSTWDFHEA-DHZHZOJOSA-N
SMILES: Cc4ccc(/C=C/C(=O)c3nnn(c2ccc1c(cnn1C)c2)c3C)cc4

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015430 Edit

Molecule Structure InChIKey: WIHPHWSTWDFHEA-DHZHZOJOSA-N

Molecule Structure SMILES String: Cc4ccc(/C=C/C(=O)c3nnn(c2ccc1c(cnn1C)c2)c3C)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015430
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   13.8655    5.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6531    6.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6531    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4406    8.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2282    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0158    8.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8033    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5908    8.6844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5908   10.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3784    7.9844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995    8.5537    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1626    7.5134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626    6.3010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2932    5.0220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1162    3.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5466    2.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    2.4640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    3.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7640    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    1.3314    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9009    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2321    6.5921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2724    5.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2282    6.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4406    5.8844    0.0000 C   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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  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
 21 17  1  0  0  0  0
 22 21  1  0  0  0  0
 23 18  2  0  0  0  0
 23 14  1  0  0  0  0
 24 13  1  0  0  0  0
 24 10  2  0  0  0  0
 25 24  1  0  0  0  0
 26  5  1  0  0  0  0
 27 26  2  0  0  0  0
 27  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015430-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    1.3727   -1.1793   -2.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0362   -0.8220   -2.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350    0.5116   -2.0605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5838    0.8412   -1.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5028   -0.1476   -1.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8083    0.1817   -0.5151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5084    1.3120   -0.7465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7980    1.6213   -0.0475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2866    0.8428    0.7764 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4087    2.9174   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9218    3.7447   -1.3680 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7018    4.8090   -1.4474 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6850    4.7362   -0.5053 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6086    5.8386   -0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5753    6.8897   -1.3317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4732    7.9848   -1.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4548    7.9810   -0.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5080    6.9659    0.6581 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6204    7.2832    1.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2216    8.4113    1.0940 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4844    8.8353    0.0458 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8296   10.1037   -0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5510    5.9282    0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5550    3.5022    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9639   -0.2852   -3.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2453   -1.7393   -3.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9505   -1.7852   -2.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3480    1.3124   -2.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7814   -2.2954   -1.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5979   -2.8693   -1.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  2  0  0  0  0
  3  4  2  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  2  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
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 14 15  1  0  0  0  0
 14 23  2  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  2  0  0  0  0
 17 21  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 38  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 27  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 1114👍, 0💬