Molecule FYI-1006028

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A

Molecule Summary:

ID: FYI-1006028
Names:
InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N
SMILES: CN(C)CCCn3c1ccccc1sc2ccc(Cl)cc23

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006028 Edit

Molecule Structure InChIKey: ZPEIMTDSQAKGNT-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)CCCn3c1ccccc1sc2ccc(Cl)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006028
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   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 N   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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 S   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
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Cl  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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  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
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  6  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 17  1  0  0  0  0
 20 19  2  0  0  0  0
 20 14  1  0  0  0  0
 21  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006028-3D
FYIcenter.com

 40 42  0     0  0  0  0  0  0999 V2000
   -5.0532   -1.3975   -0.9548 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4721    2.1681    1.4743 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573   -0.0750   -0.6375 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4307   -2.2659    0.6091 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610   -1.3541   -1.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1350   -2.5090   -0.2922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0185   -2.3789    0.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3932    0.1236   -0.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9781    0.8901   -0.5542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7119    1.1264    0.7313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8942    1.9689    0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4653   -0.6413   -0.7153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1163    0.8396   -1.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0396    1.3244    1.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9200    2.9282    0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8939   -3.4755   -0.0735 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350   -2.0201    1.8074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7837   -0.4370   -0.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1306    1.7983   -1.3158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0708    0.5448    0.6366 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0338    2.8421   -0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3749   -1.5192   -2.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2684   -1.4315   -1.6927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3331   -3.4516   -0.8160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8977   -2.6139    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416   -3.2449    1.6045 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000   -1.4981    1.5234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3024   -1.4085   -1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2447    0.0991   -2.1705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2848    2.0910    1.8825 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8610    3.7555    1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9768   -3.4257   -0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6867   -4.3848    0.5025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4564   -3.5787   -1.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179   -1.0938    2.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2898   -1.8865    1.5429 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1605   -2.8398    2.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9874    1.7329   -1.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0891    0.7186    0.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8183    3.5901   -0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 11  1  0  0  0  0
  9 13  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 18  2  0  0  0  0
 12 28  1  0  0  0  0
 13 19  1  0  0  0  0
 13 29  1  0  0  0  0
 14 20  2  0  0  0  0
 14 30  1  0  0  0  0
 15 21  1  0  0  0  0
 15 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$

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2023-12-01, 1271👍, 0💬