Molecule FYI-1007909

A

Molecule Summary:

ID: FYI-1007909
Names:
InChIKey: HPKITRNHPFNTDB-UHFFFAOYSA-N
SMILES: Clc4ccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)cc4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007909 Edit

Molecule Structure InChIKey: HPKITRNHPFNTDB-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(Nc3nccc(Nc1cc(Cl)ccc1CN2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007909
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    8.4871    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    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
    2.4249    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
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   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
    2.4249    2.1000    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  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  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
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007909-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    8.1883   -4.4806    0.5446 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.5690   -3.0033    1.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3955   -2.4775    0.6403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9027   -1.2655    1.1303 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5798   -0.5507    2.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    0.6713    2.6438 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009    1.4074    2.2298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8505    0.7843    1.9349 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345    1.5454    1.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271    2.9045    1.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1378    3.4835    1.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2114    4.8930    1.6452 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1874    5.8653    1.9697 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2774    6.9313    1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1327    8.0154    1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2069    9.2547    0.0128 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9248    8.0896    2.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8678    7.0554    3.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167    5.9250    3.1118 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840    4.8662    4.1919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3382    4.9212    5.4033 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4851    6.1431    6.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8414    6.2780    6.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1530    5.1277    7.7342 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0667    3.9178    6.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6864    3.7775    6.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1738    2.7343    2.1456 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7421   -1.1194    2.6670 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2409   -2.3344    2.1847 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8552   -2.9908   -0.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9854   -0.8838    0.6928 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8492    1.3291    2.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9241    1.0123    1.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0868    3.4890    1.0519 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7362    5.1481    0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6746    6.9074    0.1234 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5966    8.9277    2.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5262    7.1279    4.1209 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    4.8763    4.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0689    3.8860    3.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    6.1038    6.9950 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2627    7.0407    5.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8051    7.1358    7.6185 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6613    6.4565    6.2372 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2262    3.0851    7.6655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8894    3.8848    6.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9258    3.7236    7.0865 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6268    2.8280    5.7516 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2723   -0.6172    3.4732 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1504   -2.7520    2.6073 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 29  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  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 28  2  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  2  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

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