Molecule FYI-1010482

A

Molecule Summary:

ID: FYI-1010482
Names:
InChIKey: AXALXGNQOCIHJT-UHFFFAOYSA-N
SMILES: CC4(C)CN(c1ncnc3c1CCN(c2cccc(N)c2)C3(C#N)CCC#N)CCN4

Received at FYIcenter.com on: 2024-06-06

Molecule ID: FYI-1010482 Edit

Molecule Structure InChIKey: AXALXGNQOCIHJT-UHFFFAOYSA-N

Molecule Structure SMILES String: CC4(C)CN(c1ncnc3c1CCN(c2cccc(N)c2)C3(C#N)CCC#N)CCN4

Download SDF Download SVG Structure in 2D SDF:

FYI-1010482
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    9.1871   12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871   12.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 N   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 11  6  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21 15  1  0  0  0  0
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 22 10  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  3  0  0  0  0
 25 22  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  3  0  0  0  0
 29  5  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010482-3D
FYIcenter.com

 59 62  0  0  1  0  0  0  0  0999 V2000
    1.7540    1.1162    0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1448    0.6623    0.1319 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1916    1.1637    1.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400    1.2966   -1.2751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6335    0.6156   -2.3020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7890    1.3573   -3.0915 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2006    2.6066   -3.3794 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4076    3.3877   -4.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1971    3.0608   -4.5699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2288    1.8049   -4.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5447    0.9117   -3.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0139   -0.4606   -3.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9247   -0.0381   -4.6165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3298   -0.9497   -5.5884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7756   -2.2366   -5.6689 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2859   -2.8749   -7.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8952   -1.6313   -7.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8868   -1.2719   -8.2838 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3647   -0.6671   -6.4916 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  2  0  0  0  0
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M  END
$$$$

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2024-06-30, 1423👍, 0💬