Molecule FYI-1004583

A

Molecule Summary:

ID: FYI-1004583
Names:
InChIKey: LOMAAUUYFWTQRR-UHFFFAOYSA-N
SMILES: CCOC(=O)c5nc4c(F)cc(c3nc(Nc2ccc(CN1CCN(CC)CC1)cn2)ncc3F)cc4[nH]5

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004583 Edit

Molecule Structure InChIKey: LOMAAUUYFWTQRR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)c5nc4c(F)cc(c3nc(Nc2ccc(CN1CCN(CC)CC1)cn2)ncc3F)cc4[nH]5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004583
FYIcenter.com

 38 42  0  0  0  0  0  0  0  0999 V2000
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6374   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7580    6.4156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1580    6.4156    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  1  0  0  0  0
  9  8  2  0  0  0  0
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 31 30  2  0  0  0  0
 31  8  1  0  0  0  0
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 33 32  1  0  0  0  0
 33  3  1  0  0  0  0
 25 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004583-3D
FYIcenter.com

 66 70  0  0  0  0  0  0  0  0999 V2000
    2.6211    5.7242    2.3070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5830    5.7908    1.2005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2239    5.4347   -0.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8234    6.4688   -0.6812 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1322    4.8013   -2.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8663    3.7970   -3.4861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6005    2.4994   -3.2796 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9089    4.1443   -4.3570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2520    5.4859   -4.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3789    5.8593   -5.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    7.0129   -5.1371 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0607    7.4355   -5.8597 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7530    8.5788   -5.5024 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8207    9.2729   -4.3050 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8376    9.2402   -3.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0339    9.9090   -2.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2094   10.6199   -1.8967 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5069   11.4005   -0.6414 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4319   10.6747    0.6407 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8366   11.5693    1.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-23, 1706👍, 0💬