Molecule FYI-1002328

A

Molecule Summary:

ID: FYI-1002328
Names:
InChIKey: YMJLGNMATSOUGF-UHFFFAOYSA-N
SMILES: Cc4cccc(c2nnc3ccc(N1CCC(C(=O)NCCN(C)C)CC1)nn23)c4

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

Molecule ID: FYI-1002328 Edit

Molecule Structure InChIKey: YMJLGNMATSOUGF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cccc(c2nnc3ccc(N1CCC(C(=O)NCCN(C)C)CC1)nn23)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002328
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.3610    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0699   10.4693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6776   10.6157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1083    9.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    9.0456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021   10.0861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    9.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    7.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    7.7142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5041    6.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4232    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2107    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3610    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5735    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3610    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5735    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7859    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9983    0.0000    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 17  1  0  0  0  0
 16 17  1  0  0  0  0
 17 30  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002328-3D
FYIcenter.com

 59 62  0     0  0  0  0  0  0999 V2000
   -3.6316   -1.1499   -1.4963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5741    1.0476   -0.2642 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1561    0.5181   -0.9371 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6895    0.6950    0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8650    1.2459    0.3924 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2472   -1.4800    1.4093 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3595    2.6709    1.1395 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9980    1.4848    0.8399 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7619    2.9063    0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 22  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  2  0  0  0  0
 23 47  1  0  0  0  0
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 25 27  2  0  0  0  0
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M  END
$$$$

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2023-04-04, 389👍, 0💬