Molecule FYI-1015699

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A

Molecule Summary:

ID: FYI-1015699
Names:
InChIKey: AAYBHMIBQANPRC-UHFFFAOYSA-N
SMILES: Clc3ccc(c2ccc1cccnc1c2)cn3

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

Molecule ID: FYI-1015699 Edit

Molecule Structure InChIKey: AAYBHMIBQANPRC-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc3ccc(c2ccc1cccnc1c2)cn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015699
FYIcenter.com

 17 19  0  0  0  0  0  0  0  0999 V2000
    8.4870    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    4.8497    6.3000    0.0000 C   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
    4.8497    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
    2.4248    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
    1.2124    2.8000    0.0000 C   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  2  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 11  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015699-3D
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
   -2.0358    0.3751   -0.0049 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3345    0.1797   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2456   -0.9328   -0.6045 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6307   -1.0288   -0.5879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4067   -0.0219    0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8723   -0.0850    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6065    0.4916    1.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9956    0.4381    1.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6861   -0.2027    0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0832   -0.2702    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7261   -0.9192   -1.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9431   -1.4785   -2.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5947   -1.4296   -2.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9743   -0.7983   -1.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5923   -0.7236   -0.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6983    1.0467    0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3539    1.1720    0.5737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3615   -1.7047   -1.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1039   -1.8992   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0993    0.9820    1.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5381    0.8954    1.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6754    0.1792    0.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8071   -0.9877   -1.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3940   -2.0000   -2.8522 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0633   -1.1744   -1.8357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170    1.8736    1.0462 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 17  2  0  0  0  0
  3  4  2  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  2  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
M  END
$$$$

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2025-10-24, 625👍, 0💬