Molecule FYI-1007858

A

Molecule Summary:

ID: FYI-1007858
Names:
InChIKey: WQXXLMAOWOQVIX-UHFFFAOYSA-N
SMILES: O=[N+](O)c4ccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2024-03-19

Molecule ID: FYI-1007858 Edit

Molecule Structure InChIKey: WQXXLMAOWOQVIX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4ccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007858
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.2746   10.4999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.1999    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.0621   12.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    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  2  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
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 17 15  1  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007858-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
   -2.2039   -9.9039   -4.8858 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207  -10.0921   -3.7901 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.2249  -11.1189   -3.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6752   -9.2447   -3.2855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2085   -8.1834   -4.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8128   -7.3661   -3.5768 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3624   -7.5828   -2.3114 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4321   -6.8277   -1.8372 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919   -6.2270   -2.5067 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3308   -5.5614   -1.6974 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4195   -5.0330   -2.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6941   -5.1563   -3.5986 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7734   -5.8396   -4.3808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9922   -5.7465   -5.7912 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6548   -6.6087   -6.8729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3769   -7.1558   -7.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0306   -7.8628   -8.1906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557   -8.0385   -9.2161 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2157   -7.4622   -9.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5668   -6.7193   -7.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9189   -6.0223   -7.9597 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9617   -4.7973   -8.7843 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3241   -4.2222   -8.8149 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7306   -3.5165   -7.5101 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8065   -2.4790   -7.1644 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4652   -2.9689   -7.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0347   -3.7337   -8.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6661   -6.3629   -3.8407 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8901   -8.6564   -1.5438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1225   -9.4878   -2.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8884  -11.4367   -3.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.3494   -3.4817   -9.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0621   -4.9879   -9.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7071   -3.0406   -7.6444 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8255   -4.2205   -6.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0121   -4.1078   -8.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3280   -8.8705   -0.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4592  -10.3238   -1.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  2  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  1  0  0  0  0
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  9 10  1  0  0  0  0
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 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
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 24 25  1  0  0  0  0
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 25 26  1  0  0  0  0
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 26 48  1  0  0  0  0
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 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 29 30  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
M  END
$$$$

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2024-03-23, 794👍, 0💬