Molecule FYI-1000426

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A

Molecule Summary:

ID: FYI-1000426
SMILES: Oc1ccc(cc1OC)C1CC(=NN1)c1c(O)ccc2c1OC(=O)C=C2C

Received at FYIcenter.com on: 2021-06-23

Molecule ID: FYI-1000426 Edit

Molecule Structure SMILES String: Oc1ccc(cc1OC)C1CC(=NN1)c1c(O)ccc2c1OC(=O)C=C2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000426
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2398    1.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4169    0.7130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6321    1.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4550    2.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8855    4.1110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932    4.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9238    5.5362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7467    6.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1772    7.9478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1390    6.5225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7084    5.2436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1007    5.0973    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
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 14 10  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000426-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    2.5058   -0.1157    0.0706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1399   -0.0530    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4259   -1.2517    0.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9700   -1.2409    0.2214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6754   -0.0312    0.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9416    1.1589    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4607    1.1663    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9778    2.4281   -0.1105 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3877    2.5799   -0.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1914    0.0283    0.1847 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.8086   -0.7028   -0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4875   -1.8558   -0.2941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4197   -1.8220    1.0051 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7930   -0.6651    1.3258 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2313   -2.9085   -1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2146   -3.6770   -0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4852   -3.5708    0.9437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9587   -4.6048   -1.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7120   -4.8203   -2.4823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6859   -4.1244   -3.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9768   -3.1758   -2.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9153   -2.4952   -2.9899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1566   -3.2482   -3.8479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9403   -3.1672   -3.9132 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9687   -3.9967   -4.8128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2311   -4.3542   -4.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0835   -4.9784   -5.5741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7803   -1.0456    0.1204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9386   -2.2085    0.2284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5025   -2.1882    0.2857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4631    2.1114   -0.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6058    3.6510   -0.1164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708    2.1044   -0.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7904    2.2206    0.8953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5216    1.0732    0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0338   -1.0217   -1.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5685   -0.1087   -1.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1643   -0.7322    2.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8272   -2.9552    1.3435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7323   -5.1776   -0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3038   -5.5694   -2.9995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4978   -4.1810   -5.7685 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9334   -5.5383   -5.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4921   -5.6649   -6.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4706   -4.1915   -6.2334 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
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 42  1  0  0  0  0
 26 27  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
$$$$

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2022-11-04, 868👍, 0💬