Molecule FYI-1002425

A

Molecule Summary:

ID: FYI-1002425
Names:
InChIKey: DWYRIWUZIJHQKQ-UHFFFAOYSA-N
SMILES: Cn6cc(c5cc4c(N3CCN(c2ncc(C(C)(N)c1ccc(F)cc1)cn2)CC3)ncnn4c5)cn6

Received at FYIcenter.com on: 2023-03-17

Molecule ID: FYI-1002425 Edit

Molecule Structure InChIKey: DWYRIWUZIJHQKQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn6cc(c5cc4c(N3CCN(c2ncc(C(C)(N)c1ccc(F)cc1)cn2)CC3)ncnn4c5)cn6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002425
FYIcenter.com

 37 42  0  0  0  0  0  0  0  0999 V2000
   14.4663    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7663    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9787    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9787    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1911    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4036    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4036    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1911    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6160    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5539    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3415    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1290    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1290    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3415    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5539    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9166    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8544    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8544    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140    3.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    6.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    5.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    9.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    8.2124    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  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
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 31  1  0  0  0  0
 36 33  1  0  0  0  0
 37  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002425-3D
FYIcenter.com

 64 69  0     1  0  0  0  0  0999 V2000
   -9.2978    0.4190   -2.9326 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0474    1.8005    0.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6236    0.8015    0.4989 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6899    1.9538   -0.3592 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    3.5544   -0.2089 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4020   -0.4967   -0.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4497   -0.6733    2.5477 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9091    3.2852   -0.4816 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9881   -3.7028   -0.3765 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1291   -3.2014    0.1262 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.4823   -0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1516    0.4304   -0.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    1.6972    1.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032    2.2698   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9151    0.3192    0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4514    1.3984   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7826   -1.1231    1.2719 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4064   -0.6100    1.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031    0.0312   -0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9858   -0.2443   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.5067    3.2238    1.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 36  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  4 24  1  0  0  0  0
  5 16  2  0  0  0  0
  5 28  1  0  0  0  0
  6 17  2  0  0  0  0
  6 25  1  0  0  0  0
  7 17  1  0  0  0  0
  7 26  2  0  0  0  0
  8 19  1  0  0  0  0
  8 53  1  0  0  0  0
  8 54  1  0  0  0  0
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 27 50  1  0  0  0  0
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 28 55  1  0  0  0  0
 29 32  2  0  0  0  0
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 31 35  2  0  0  0  0
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 37 63  1  0  0  0  0
 37 64  1  0  0  0  0
M  END
$$$$

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2023-04-05, 2002👍, 0💬