Molecule FYI-1011451

A

Molecule Summary:

ID: FYI-1011451
Names:
InChIKey: FUSHFOGORKZNNQ-UHFFFAOYSA-N
SMILES: COCCOc4ccc(c2cn(c1ccccc1)c3nc[nH]c(=O)c23)cc4

Received at FYIcenter.com on: 2024-08-09

Molecule ID: FYI-1011451 Edit

Molecule Structure InChIKey: FUSHFOGORKZNNQ-UHFFFAOYSA-N

Molecule Structure SMILES String: COCCOc4ccc(c2cn(c1ccccc1)c3nc[nH]c(=O)c23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1011451
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   16.0922    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8798    6.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6674    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4550    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424    6.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    6.8552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    6.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8769    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1831    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5526    1.9135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7505    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7846    3.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9617    2.5980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  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  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
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 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
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 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011451-3D
FYIcenter.com

 46 49  0     0  0  0  0  0  0999 V2000
   -5.0581    0.1313    0.0264 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410   -3.3361   -0.2017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8306    0.5217   -0.0588 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414    0.3691    0.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7915   -1.7362   -0.1103 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2716   -3.5892   -0.2230 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5100   -0.2958   -0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3453   -1.4311   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560   -0.9957   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3387    0.8060    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9196   -0.1868   -0.0029 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7591    1.2042    0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0840   -2.8507   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9457    0.7473    0.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6892    2.4956   -0.4465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0500   -0.6906    1.0194 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5407   -3.0094   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7010    0.0278    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.5818    0.7007 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8057    3.3302   -0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9922    2.8733    0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -9.7210   -0.1256    0.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2 13  2  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 20  2  0  0  0  0
  6 13  1  0  0  0  0
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  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
 10 28  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 16  2  0  0  0  0
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 14 18  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 22  1  0  0  0  0
 16 32  1  0  0  0  0
 17 23  2  0  0  0  0
 17 33  1  0  0  0  0
 18 21  2  0  0  0  0
 18 34  1  0  0  0  0
 19 21  1  0  0  0  0
 19 35  1  0  0  0  0
 20 36  1  0  0  0  0
 22 24  2  0  0  0  0
 22 37  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 26  1  0  0  0  0
 25 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
M  END
$$$$

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2024-08-14, 357👍, 0💬