Molecule FYI-1003481

A

Molecule Summary:

ID: FYI-1003481
Names:
InChIKey: NPIKKMYMCZMUQO-UHFFFAOYSA-N
SMILES: O=C(c2cc1ccccc1c(=O)[nH]2)N5CCC(c4nc(c3ccccc3)n[nH]4)CC5

Received at FYIcenter.com on: 2023-06-21

Molecule ID: FYI-1003481 Edit

Molecule Structure InChIKey: NPIKKMYMCZMUQO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c2cc1ccccc1c(=O)[nH]2)N5CCC(c4nc(c3ccccc3)n[nH]4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003481
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
   12.4549    3.7833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6673   10.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4549   10.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424   10.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    8.6833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    6.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    3.7833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6051    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3927    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1769    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9617    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8769    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    0.2911    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8176    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0300    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
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 13  3  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  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  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27 20  2  0  0  0  0
 28 27  1  0  0  0  0
 28 18  1  0  0  0  0
 29 17  1  0  0  0  0
 30 29  1  0  0  0  0
 30 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003481-3D
FYIcenter.com

 51 55  0  0  0  0  0  0  0  0999 V2000
    1.3978   -0.6030   -0.4973 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3875   -0.0553    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7327    1.3415   -0.4418 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5187    1.6719   -1.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8679    3.0181   -2.1935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5581    3.4448   -3.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9100    4.7341   -3.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5913    5.5947   -3.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9098    5.1778   -1.7499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5310    3.9007   -1.3282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7688    3.4828    0.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808    4.1843    0.8695 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2521    2.2634    0.4369 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2006   -0.7018    0.9337 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4367   -0.1855    1.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5699   -1.2062    1.5110 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0867   -2.5570    3.5453 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2922   -1.8371    4.3069 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6499   -2.1837    5.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9759   -1.6285    6.7622 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9177   -0.7207    6.6078 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2407   -0.2214    7.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187   -0.6211    9.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6266   -3.9600    4.0903 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8696   -2.3519    0.9395 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  4  2  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
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  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 17 18  1  0  0  0  0
 17 29  1  0  0  0  0
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 18 28  1  0  0  0  0
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 20 27  2  0  0  0  0
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 29 48  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
$$$$

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2023-07-08, 475👍, 0💬