Molecule FYI-1003293

A

Molecule Summary:

ID: FYI-1003293
Names:
InChIKey: RXVJLDSWGFBMSJ-UHFFFAOYSA-N
SMILES: COc3ccc(c2cnc(c1cccc(OC)c1OC)o2)c(OC)c3

Received at FYIcenter.com on: 2023-05-31

Molecule ID: FYI-1003293 Edit

Molecule Structure InChIKey: RXVJLDSWGFBMSJ-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(c2cnc(c1cccc(OC)c1OC)o2)c(OC)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003293
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.4497    3.5441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8823    4.8757    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7497    5.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6170    4.8757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0497    3.5441    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2855    5.3083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2726    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9944    6.6776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8799    1.5718    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2909    6.6063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  6  8  2  0  0  0  0
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 22 23  1  0  0  0  0
 10 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003293-3D
FYIcenter.com

 44 46  0     0  0  0  0  0  0999 V2000
    0.1216   -0.0675    0.0881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5052    1.8184    0.1867 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9407   -1.9116    0.1842 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7830    0.4012   -0.4544 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3766   -0.4881   -0.7971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8786    1.6076    1.2319 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519    0.4373    0.1877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2327   -0.2138    0.2147 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911    0.7810    0.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0289    0.4957    0.5484 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8348   -0.8941    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3879    1.4577    0.0191 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4798    1.7957    1.2242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1817   -1.5995    0.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0896   -0.1848   -0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7067    1.1466   -0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.5459   -1.6322   -0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8111   -2.4599    1.4938 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  9  1  0  0  0  0
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  2 11  1  0  0  0  0
  2 22  1  0  0  0  0
  3 12  1  0  0  0  0
  3 23  1  0  0  0  0
  4 16  1  0  0  0  0
  4 24  1  0  0  0  0
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  6 10  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
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  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
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 17 18  2  0  0  0  0
 17 29  1  0  0  0  0
 18 19  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  0  0  0  0
 21 32  1  0  0  0  0
 22 33  1  0  0  0  0
 22 34  1  0  0  0  0
 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
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 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 3331👍, 0💬