Molecule FYI-1005613

A

Molecule Summary:

ID: FYI-1005613
Names:
InChIKey: KJCKVXKGXLPESD-UHFFFAOYSA-N
SMILES: NC4CCN(Cc3cccc(c2ccc1c(O)nccc1c2)c3)C4

Received at FYIcenter.com on: 2023-11-08

Molecule ID: FYI-1005613 Edit

Molecule Structure InChIKey: KJCKVXKGXLPESD-UHFFFAOYSA-N

Molecule Structure SMILES String: NC4CCN(Cc3cccc(c2ccc1c(O)nccc1c2)c3)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005613
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.9349    5.4376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    6.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1287    8.9694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    7.0076    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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  2  0  0  0  0
 22 12  1  0  0  0  0
 23 11  2  0  0  0  0
 23  7  1  0  0  0  0
 24  5  1  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005613-3D
FYIcenter.com

 45 48  0  0  1  0  0  0  0  0999 V2000
    1.0909   -0.0087    0.8224 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5448    0.0166    0.7313 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1956   -0.8269    1.8203 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3808    0.0058    2.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5765    1.1224    1.3715 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4447    0.8298    0.2144 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8746    0.4205    0.5308 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1855   -0.9167    0.7754 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880   -1.3167    1.0668 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5229   -0.3806    1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2848    0.9513    0.6534 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3990    1.8772    0.3219 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2467    3.2685    0.4287 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1053    4.1266   -0.2507 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2533    3.6182   -0.8908 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0914    4.3701   -1.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5295    4.6498   -2.9492 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4034    4.0771   -1.9018 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8053    2.8907   -1.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9328    1.9208   -0.9820 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6085    2.2914   -0.7017 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6248    1.4124   -0.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9342    1.3459    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1922    1.3987    0.9154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7576   -0.9613    0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8252   -0.3901   -0.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5173   -1.7915    1.4119 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5147   -1.0299    2.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2626   -0.6069    2.5026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1167    0.4352    3.2848 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4934    1.7418   -0.3967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0155    0.0637   -0.4414 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3994   -1.6767    0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7037   -2.3515    1.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5329   -0.7248    1.2385 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4160    3.6887    0.9906 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9228    5.2067   -0.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1688    4.1616   -3.5077 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8806    2.7263   -1.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2984    0.9197   -0.7683 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8029    0.3407   -0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6986    2.3778    0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1478    2.0040    0.0018 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6686    1.9650    1.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 22 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 1945👍, 0💬