Molecule FYI-1002332

A

Molecule Summary:

ID: FYI-1002332
Names:
InChIKey: SZJFVNBIRNREDK-UHFFFAOYSA-N
SMILES: Cc5cccc(c3nnc4ccc(N2CCC(C(=O)N1CCCCC1)CC2)nn34)c5

Received at FYIcenter.com on: 2023-02-27

Molecule ID: FYI-1002332 Edit

Molecule Structure InChIKey: SZJFVNBIRNREDK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5cccc(c3nnc4ccc(N2CCC(C(=O)N1CCCCC1)CC2)nn34)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002332
FYIcenter.com

 30 34  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6762    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0455    4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4781    5.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5414    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1719    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7393    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2351    7.2764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   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
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    9.6996    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    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
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    1.2125    2.1000    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  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
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 28  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  2  0  0  0  0
 19  1  1  0  0  0  0
 20  1  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  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
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 26  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 17 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002332-3D
FYIcenter.com

 58 62  0     0  0  0  0  0  0999 V2000
   -4.8038   -1.7664   -0.7337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5573    0.2547    0.1295 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4627   -1.0575    0.7729 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7351   -0.6842    0.1813 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8943   -1.2607   -0.2213 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856   -2.7542   -0.8279 N   0  0  0  0  0  0  0  0  0  0  0  0
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 20 21  2  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
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 23 24  1  0  0  0  0
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 25 27  2  0  0  0  0
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 30 58  1  0  0  0  0
M  END
$$$$

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2023-04-04, 1659👍, 0💬