Molecule FYI-1007803

A

Molecule Summary:

ID: FYI-1007803
Names:
InChIKey: GCJGQYHGSLLGOO-UHFFFAOYSA-N
SMILES: Brc4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)cc4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007803 Edit

Molecule Structure InChIKey: GCJGQYHGSLLGOO-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc4ccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007803
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   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 N   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
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   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    2.8000    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
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  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
  7  2  1  0  0  0  0
  8  5  1  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  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  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 19  1  0  0  0  0
 23 22  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
 27 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007803-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   13.0131    3.3937   -2.6903 Br  0  0  0  0  0  0  0  0  0  0  0  0
   11.9960    1.8032   -2.7607 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8434    1.6888   -1.9933 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0832    0.5177   -2.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4533   -0.5414   -2.9086 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6911   -1.7173   -2.9991 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2953   -1.7801   -2.9376 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5760   -0.7134   -3.3190 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2441   -0.8081   -3.2572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5942   -1.9315   -2.8281 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3922   -2.9949   -2.4612 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7455   -4.1957   -2.0937 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3150   -5.4785   -2.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0013   -6.3965   -1.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5950   -7.6666   -1.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5027   -8.0697   -2.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0414   -9.3351   -2.0712 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4832  -10.0034   -3.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0010  -11.4619   -3.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4865  -12.1404   -2.0807 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0252  -11.4763   -0.8893 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4782  -10.0088   -0.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7889   -7.1418   -3.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2116   -5.8703   -3.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7391   -2.9219   -2.5146 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6394   -0.4190   -3.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4019    0.7515   -3.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5169    2.4987   -1.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1800    0.4474   -1.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0621   -2.4926   -2.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7010    0.0709   -3.5859 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140   -1.9905   -2.8209 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0157   -4.0531   -1.4075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3023   -6.1438   -0.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2996   -8.3590   -0.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5779   -9.9674   -3.3585 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0732   -9.5399   -4.2050 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3628  -12.0048   -4.1312 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9043  -11.5053   -3.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4304  -12.0195   -0.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9315  -11.5452   -0.8459 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5738   -9.9647   -0.7931 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1001   -9.5390    0.0726 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4911   -7.3759   -3.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4681   -5.1854   -3.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9504   -1.2259   -4.2998 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2975    0.8386   -4.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  2  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  2  0  0  0  0
  6  7  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 23  2  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 143👍, 0💬