Molecule FYI-1009225

A

Molecule Summary:

ID: FYI-1009225
Names:
InChIKey: SSSRNQXVSZIDPV-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(NC(=O)CN2CCN(c1ccc(O)cc1)CC2)ccc34

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009225 Edit

Molecule Structure InChIKey: SSSRNQXVSZIDPV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(NC(=O)CN2CCN(c1ccc(O)cc1)CC2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1009225
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
   18.1866    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   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
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   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
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
 24  6  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26  4  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009225-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
   -2.3611   -1.3188   -0.7087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4787   -0.6295   -1.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5376   -0.9372   -3.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6847   -0.3169   -4.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7984   -0.6245   -5.2168 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356    0.6105   -3.5951 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    0.9334   -2.2299 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3419    1.8399   -1.9055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5322    2.2194   -0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5523    3.1104   -0.2079 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6235    3.5102   -0.9958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9872    2.9823   -2.0443 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4215    4.6807   -0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6033    5.4814    0.5293 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5339    6.2640   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6973    7.7852   -0.4415 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6822    8.4713    0.4027 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3260    9.3801    1.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1066    9.3592    2.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8389   10.2738    3.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7894   11.2299    3.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5827   12.1296    4.4597 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9918   11.2951    2.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2482   10.3812    1.7542 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8796    7.6693    0.6917 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585    6.3491    1.3615 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6637    1.7296    0.3988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3406    0.8056    0.0564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5015    0.3771   -1.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9967   -2.0731   -1.1877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0225   -0.6038   -0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8944   10.2131    3.6474 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7299   12.0486    3.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1886   10.4633    1.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5921    8.1872    1.3432 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4108    7.4751   -0.2481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9004    6.5716    2.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3540    5.8061    1.6869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697    2.0299    1.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9761    0.4222    0.8501 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
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 13 37  1  0  0  0  0
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 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
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 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
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 25 48  1  0  0  0  0
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 26 50  1  0  0  0  0
 27 28  2  0  0  0  0
 27 51  1  0  0  0  0
 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-16, 1153👍, 0💬