Molecule FYI-1007843

A

Molecule Summary:

ID: FYI-1007843
Names:
InChIKey: MKCJRQPBTKKPRW-UHFFFAOYSA-N
SMILES: Brc4ccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007843 Edit

Molecule Structure InChIKey: MKCJRQPBTKKPRW-UHFFFAOYSA-N

Molecule Structure SMILES String: Brc4ccc(Nc3nccc(Nc1ccccc1CN2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007843
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    3.6373   12.5999    0.0000 Br  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
    4.8499   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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
    2.4249    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   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
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    4.8499    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 O   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
    6.0622    4.2000    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 21  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
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007843-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    8.5225    6.3155    0.9142 Br  0  0  0  0  0  0  0  0  0  0  0  0
    8.3781    4.4586    0.5902 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1911    3.9327    0.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0817    2.5544   -0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1345    1.6881    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0274    0.3038    0.0370 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5374   -0.4233   -1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3682    0.2072   -2.2079 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0555   -0.5525   -3.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8990   -1.9090   -3.1444 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0053   -2.5034   -1.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6523   -3.8426   -1.6771 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8374   -5.1424   -2.2226 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2666   -6.1852   -1.4431 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5347   -7.5408   -1.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3712   -7.9042   -2.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7944   -6.9208   -3.5896 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4750   -5.5430   -3.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7952   -4.6528   -4.5850 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7700   -4.6337   -5.6453 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0926   -3.7170   -6.7439 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5487   -2.2919   -6.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1553   -2.2304   -6.2754 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6943   -3.1356   -5.2684 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3403   -4.5348   -5.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3385   -1.7534   -0.8565 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3328    2.2427    0.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4586    3.6228    0.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3431    4.5754   -0.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1508    2.1533   -0.5177 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3197   -0.2882    0.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9216   -0.0325   -4.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6340   -2.4734   -3.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6943   -3.9176   -0.6604 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6008   -5.9374   -0.6178 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1064   -8.3006   -1.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6511   -8.9444   -2.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7056   -5.0627   -5.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1435   -3.6791   -4.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6550   -4.1385   -7.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1748   -3.6780   -6.9144 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6763   -1.7558   -7.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1349   -1.7240   -5.8572 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6156   -3.2388   -5.4237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7528   -2.6738   -4.2787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8152   -5.0735   -6.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0760   -5.0853   -4.4012 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1885    1.6015    0.8553 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4000    4.0290    1.2165 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 28  2  0  0  0  0
  3  4  2  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
  5  6  1  0  0  0  0
  5 27  2  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 26  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  2  0  0  0  0
 14 15  2  0  0  0  0
 14 35  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 25 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 1189👍, 0💬