Molecule FYI-1015701

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A

Molecule Summary:

ID: FYI-1015701
Names:
InChIKey: KLJKFBZUXKNOLV-UHFFFAOYSA-N
SMILES: Clc3cc(c2ccc1nccnc1c2)ccn3

Received at FYIcenter.com on: 2025-09-29

Molecule ID: FYI-1015701 Edit

Molecule Structure InChIKey: KLJKFBZUXKNOLV-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3cc(c2ccc1nccnc1c2)ccn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015701
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.8000    0.0000 Cl  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
    6.0622    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
    2.4249    4.2000    0.0000 C   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
    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 N   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
    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 N   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  1  0  0  0  0
  6  5  2  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  2  0  0  0  0
 13  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  5  1  0  0  0  0
 15  4  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015701-3D
FYIcenter.com

 25 27  0     0  0  0  0  0  0999 V2000
   -4.5145   -2.3023   -0.5303 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7399   -1.6622    0.3754 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9393    0.7639   -0.2527 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4171    0.1837    0.1985 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1918    0.4790   -0.0292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6325    0.3780    0.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9936   -0.5688    0.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6042   -0.6398    0.2099 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6008    0.6598   -0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    1.6900   -0.3430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7963    1.7719   -0.4148 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2661   -0.8209   -0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3896    1.4798    0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6481   -0.8657   -0.1693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7661    1.3321    0.4900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0768   -1.5371    0.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680   -0.3413   -0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1672   -1.5972    0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621    2.5878   -0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2532    2.7267   -0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7272   -1.7025   -0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9585    2.4348    0.7111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4016    2.1591    0.7893 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6537   -2.4326    0.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7427   -0.2296   -0.0815 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  2  7  2  0  0  0  0
  2 16  1  0  0  0  0
  3  9  2  0  0  0  0
  3 17  1  0  0  0  0
  4 14  2  0  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 14  1  0  0  0  0
 12 21  1  0  0  0  0
 13 15  2  0  0  0  0
 13 22  1  0  0  0  0
 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
 16 24  1  0  0  0  0
 17 25  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-24, 1014👍, 0💬