Molecule FYI-1007407

A

Molecule Summary:

ID: FYI-1007407
Names:
InChIKey: MBIPDERYKYCHGN-UHFFFAOYSA-N
SMILES: COc4ccc(C(=O)C2=NCc1ccccc1n3cccc23)cc4OC

Received at FYIcenter.com on: 2024-02-20

Molecule ID: FYI-1007407 Edit

Molecule Structure InChIKey: MBIPDERYKYCHGN-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc(C(=O)C2=NCc1ccccc1n3cccc23)cc4OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007407
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.6350    8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4225    9.6917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2101    8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9977    9.6917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7853    8.9917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7853    7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9977    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2101    7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4225    6.8917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6350    7.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5729    6.8917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3604    7.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5729    5.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    4.8843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1729    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2729    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1457    3.5194    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5401    3.3939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0903    4.6812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0360    5.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8342    4.8843    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  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
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  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  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 13  1  0  0  0  0
 26 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007407-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.5320    0.7191   -1.3204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0919   -0.0531   -0.2702 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8050   -1.1762   -0.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5011   -1.2646   -1.8206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4014   -2.3499   -2.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6518   -3.3657   -1.1933 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5119   -4.5516   -1.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2346   -3.8697   -2.2538 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3839   -5.7196   -1.7206 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3592   -6.0780   -0.9068 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1405   -7.3083   -0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9655   -7.9665    0.1166 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7625   -8.0078    1.5010 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4433   -8.1078    1.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3257   -8.0407    1.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5331   -7.8188   -0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7977   -8.0772   -0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9154   -7.8999   -2.2087 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7742   -8.6371   -3.0569 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6805   -8.1572   -4.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0094   -6.8949   -4.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9760   -6.6639   -2.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9469   -3.1794    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9751   -2.1812    0.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2296   -2.3635    1.4494 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820   -1.4123    1.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3187    1.1999   -1.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3476   -0.4682   -2.5472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9066   -2.3105   -3.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7836   -8.1166   -1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9442   -6.5601   -0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5943   -7.9322    2.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2776   -8.2001    3.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3182   -8.1019    1.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7118   -7.4416   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7816   -6.2585   -5.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2237   -3.8361    0.8696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6334   -1.6834    2.6009 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4431   -1.3759    0.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6090   -0.4220    1.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  2  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 23  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  1  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  2  0  0  0  0
 21 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
M  END
$$$$

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2024-02-28, 166👍, 0💬