Molecule FYI-1001556

A

Molecule Summary:

ID: FYI-1001556
SMILES: Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

Received at FYIcenter.com on: 2022-09-06

Molecule ID: FYI-1001556 Edit

Molecule Structure SMILES String: Nc1nc(C#Cc2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001556
FYIcenter.com

 39 42  0  0  1  0  0  0  0  0999 V2000
   13.5133   10.6200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3670    9.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4997    8.4048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3533    7.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4859    6.1895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6185    5.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7512    4.5437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6049    3.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7375    2.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0164    2.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1628    4.2903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0302    5.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0744    6.4430    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9417    7.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7661    3.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.7029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0952    4.3370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  3  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
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 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13  4  2  0  0  0  0
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 36 21  1  0  0  0  0
 36 37  1  6  0  0  0
 38 36  1  0  0  0  0
 38 19  1  0  0  0  0
 38 39  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001556-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    1.2765   -0.1019    0.0776 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629   -0.0983    0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3074   -1.2817    0.0006 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514   -1.2600   -0.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2614   -2.5584   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8288   -3.6207   -0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5438   -4.8551   -0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9327   -4.8564   -0.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6221   -6.0420   -0.7914 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9303   -7.2478   -0.8375 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5526   -7.2621   -0.6259 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8595   -6.0706   -0.3860 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4958   -0.1927   -0.0646 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8007    0.9673   -0.0614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4125    1.0884   -0.0343 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183    2.4048   -0.0554 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1384    3.0873   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2486    2.2723   -0.0471 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5932    2.7990    0.0694 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3369    2.5350   -1.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6597    2.0669   -0.7675 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 41  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  2  0  0  0  0
  3  4  2  0  0  0  0
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  4 13  1  0  0  0  0
  5  6  3  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
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  9 10  1  0  0  0  0
  9 43  1  0  0  0  0
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M  END
$$$$

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2022-10-01, 1595👍, 0💬