Molecule FYI-1007832

A

Molecule Summary:

ID: FYI-1007832
Names:
InChIKey: HIQJVQYYSHHPDM-UHFFFAOYSA-N
SMILES: Clc4ccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)cc4

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

Molecule ID: FYI-1007832 Edit

Molecule Structure InChIKey: HIQJVQYYSHHPDM-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007832
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   12.1244    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 N   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
    4.8498    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 N   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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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  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
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007832-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    6.0394    7.9384   -4.8891 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8581    7.1478   -3.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1717    5.9479   -3.2939 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2139    5.3156   -2.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404    5.8762   -2.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9680    5.2636   -1.4914 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2402    4.4674   -0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3822    3.4974   -0.0502 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7271    2.7402    1.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8895    2.9084    1.7304 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7064    3.9461    1.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8383    4.2652    2.1093 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5888    5.4709    2.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4470    6.4991    1.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1308    7.7019    1.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9472    8.9098    0.1492 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.9543    7.9302    2.4498 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0965    6.9357    3.4194 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4384    5.6840    3.3448 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6341    4.7474    4.3577 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5991    3.8186    4.8463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4318    3.9182    6.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6772    3.8050    7.0719 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5765    4.8360    6.6355 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8864    4.6850    5.1392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3604    4.7134    0.3109 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6338    7.0682   -2.9713 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5922    7.7094   -3.7656 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1554    5.5007   -3.4064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4829    4.3799   -2.0141 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1824    4.8726   -1.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0094    1.9701    1.2778 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1117    2.2874    2.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4112    3.4677    2.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8191    6.3719    0.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4771    8.8725    2.5530 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7124    7.1856    4.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108    2.8000    4.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6111    4.0024    4.4212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7824    3.1073    6.7176 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9532    4.8656    6.6452 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4960    4.7400    7.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1369    5.8158    6.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3363    3.6996    4.9661 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6381    5.4202    4.8372 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6597    7.5321   -2.8364 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488    8.6518   -4.2474 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 19  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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 19 20  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 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
 27 28  1  0  0  0  0
 27 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 136👍, 0💬