Molecule FYI-1014139

A

Molecule Summary:

ID: FYI-1014139
Names:
InChIKey: JZKRHZBDOSCRPA-UHFFFAOYSA-N
SMILES: COc3ccc(C(=O)N(C(=O)c1ccccc1)C(=O)c2cccnc2Cl)cc3

Received at FYIcenter.com on: 2025-03-04

Molecule ID: FYI-1014139 Edit

Molecule Structure InChIKey: JZKRHZBDOSCRPA-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(C(=O)N(C(=O)c1ccccc1)C(=O)c2cccnc2Cl)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014139
FYIcenter.com

 28 30  0  0  0  0  0  0  0  0999 V2000
    4.8497    6.3000    0.0000 O   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
    3.6373    2.8000    0.0000 C   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
    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 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   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
    2.4248    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
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    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
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    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
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  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
 10  5  1  0  0  0  0
 11  4  2  0  0  0  0
 12  3  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
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 18 17  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
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 21 12  2  0  0  0  0
 22  2  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014139-3D
FYIcenter.com

 43 45  0  0  0  0  0  0  0  0999 V2000
    3.2365    3.5414    0.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5784    3.0546    1.4026 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2324    2.0810    2.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3364    1.3626    1.6526 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9644    0.4455    2.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4883    0.2218    3.7971 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2700   -0.7215    4.6566 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4273   -0.9791    4.3188 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6737   -1.3257    5.7629 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4241   -1.9686    5.7882 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7926   -2.1223    6.8395 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6758   -2.2465    4.5175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2771   -2.5487    3.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195   -2.4876    2.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1534   -2.2067    2.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5273   -2.0332    3.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840   -2.0591    4.5652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4677   -1.5003    6.9012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5782   -2.5894    7.4536 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2941   -0.3344    7.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9528    0.9893    7.0385 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7574    2.0603    7.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8628    1.7937    8.2088 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2029    0.5518    8.5995 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4248   -0.4839    8.1746 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0566   -1.9771    8.7551 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3496    0.9084    4.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7231    1.8247    3.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310    4.4593   -0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1566    2.8137   -0.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2843    3.7967    0.4337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7407    1.4972    0.6546 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8353   -0.0959    2.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3391   -2.7709    3.2104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9987   -2.6297    1.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5736   -2.1281    1.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5425   -1.8462    3.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7863   -1.8861    5.5181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0631    1.2264    6.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5216    3.0783    7.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5183    2.5898    8.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292    0.7604    5.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8391    2.3612    3.7207 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  2  0  0  0  0
  4  5  2  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  2  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 18  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 35  1  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  2  0  0  0  0
 21 22  2  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
 23 24  2  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 27 28  1  0  0  0  0
 27 42  1  0  0  0  0
 28 43  1  0  0  0  0
M  END
$$$$

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2025-03-12, 963👍, 0💬