Molecule FYI-1001688

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A

Molecule Summary:

ID: FYI-1001688
SMILES: C1COCCC1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5

Received at FYIcenter.com on: 2022-11-07

Molecule ID: FYI-1001688 Edit

Molecule Structure SMILES String: C1COCCC1NC(=O)C2=CC=C(C=C2)C3=NC=CC(=C3)C4=C(NN=C4)C5=CC=CC=N5

Download SDF Download SVG Structure in 2D SDF:

FYI-1001688
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
   14.8266    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0390    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0390    9.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8266   10.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6142    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4018    7.7544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1893    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1893    9.8544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9769    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7645    8.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5519    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5519    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7645    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9769    6.3543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3395    5.6543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9945    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4271    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8271    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2597    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6630    1.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.0405    3.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    1.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6226    0.8273    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
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 17 16  2  0  0  0  0
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 24 23  1  0  0  0  0
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 26 22  1  0  0  0  0
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 29 28  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001688-3D
FYIcenter.com

 55 59  0  0  0  0  0  0  0  0999 V2000
    0.6432   -0.2924   -0.4681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7436   -0.1175    0.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332    1.2267    0.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0135    1.5901    1.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4155    1.5197    1.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7081    0.1226    0.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0453    0.0682   -0.0208 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7403   -1.1200   -0.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2827   -2.1863    0.3083 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1020   -1.0627   -0.6875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8756    0.1034   -0.6922 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1781    0.0788   -1.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7440   -1.1016   -1.7255 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9422   -2.2590   -1.7121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6416   -2.2424   -1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1309   -1.1244   -2.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9877   -0.2165   -1.7107 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2626   -0.2233   -2.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7392   -1.0814   -3.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8538   -1.9963   -3.7003 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5443   -2.0262   -3.2165 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2845   -2.9242   -4.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5270   -3.3906   -5.8116 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3565   -4.2657   -6.4685 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5752   -4.3984   -5.9254 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5364   -3.5697   -4.8824 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3608   -4.0537   -6.8818 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5622   -1.4659   -6.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7333    0.3371   -1.3627 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3282   -3.2095   -2.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7744   -1.0161   -3.4524 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8357   -2.7340   -3.6268 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1539   -4.7937   -7.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
  2 35  1  0  0  0  0
  2 36  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 41  1  0  0  0  0
  7  8  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 48  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 21 49  1  0  0  0  0
 22 23  2  0  0  0  0
 22 26  1  0  0  0  0
 23 24  1  0  0  0  0
 23 27  1  0  0  0  0
 24 25  1  0  0  0  0
 24 50  1  0  0  0  0
 25 26  2  0  0  0  0
 26 51  1  0  0  0  0
 27 28  2  0  0  0  0
 27 32  1  0  0  0  0
 28 29  1  0  0  0  0
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 29 30  2  0  0  0  0
 29 53  1  0  0  0  0
 30 31  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  2  0  0  0  0
 31 55  1  0  0  0  0
M  END
$$$$

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2022-11-21, 2862👍, 0💬