Molecule FYI-1001251

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A

Molecule Summary:

ID: FYI-1001251
SMILES: O=C(/C=C\\c1cccc(O)c1)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12

Received at FYIcenter.com on: 2022-04-13

Molecule ID: FYI-1001251 Edit

Molecule Structure SMILES String: O=C(/C=Cc1cccc(O)c1)N1N=C(c2ccncc2)OC1c1c[nH]c2ccccc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1001251
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    7.3671    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9423    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5795    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5795    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7920    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3671    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1547    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2873    7.1229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8547    8.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6776    9.5871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0699    9.4406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8928   10.5732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3233   11.8523    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9310   11.9986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1081   10.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4547    8.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0221    7.1229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905    6.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2579    5.3588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8579    5.3588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    6.6903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    7.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    9.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    8.9055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    7.5132    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 11  5  1  0  0  0  0
 12  2  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 14  1  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 23  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001251-3D
FYIcenter.com

 49 53  0  0  1  0  0  0  0  0999 V2000
    1.3059   -0.5552   -0.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3396   -0.0278    0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8781    1.2074   -0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3876    1.6501   -1.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168    2.8188   -2.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2632    3.2037   -2.3246 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7515    4.2831   -3.0655 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9016    4.9875   -3.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695    4.6010   -4.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060    5.2537   -4.8461 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0729    3.5288   -3.2764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0905   -0.5192    1.1572 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1408    0.1383    1.7407 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4016   -0.5763    2.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4528   -0.3218    3.7813 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2553    0.8119    3.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2439    1.0254    4.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4727    0.1999    5.6282 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6804   -0.8882    5.7377 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6648   -1.1921    4.8508 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6292   -1.6677    3.0250 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304   -1.7002    1.9116 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9174   -2.9499    1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0587   -3.3606    0.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7890   -4.5423   -0.2023 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4955   -4.9342    0.0511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7929   -6.0620   -0.3910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4662   -6.2045    0.0245 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0652   -2.0832    4.9948 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4372   -5.0563   -0.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2528   -6.7994   -1.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098   -7.0647   -0.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656   -5.3831    1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0971   -3.3989    1.9141 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  3  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  8  9  2  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
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 12 13  1  0  0  0  0
 12 22  1  0  0  0  0
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 14 21  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 31  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
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 26 31  2  0  0  0  0
 27 28  2  0  0  0  0
 27 46  1  0  0  0  0
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 28 47  1  0  0  0  0
 29 30  2  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
M  END
$$$$

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2022-05-01, 1773👍, 0💬