Molecule FYI-1006321

A

Molecule Summary:

ID: FYI-1006321
Names:
InChIKey: ILQFWZYCIIZRJC-UHFFFAOYSA-N
SMILES: CC(C)(C)c4nc(c2ccc(NC(=O)Nc1cccc(C(F)(F)F)c1)c3ccccc23)c5c(NC(=O)CC#N)nccn45

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006321 Edit

Molecule Structure InChIKey: ILQFWZYCIIZRJC-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c4nc(c2ccc(NC(=O)Nc1cccc(C(F)(F)F)c1)c3ccccc23)c5c(NC(=O)CC#N)nccn45

Download SDF Download SVG Structure in 2D SDF:

FYI-1006321
FYIcenter.com

 43 47  0  0  0  0  0  0  0  0999 V2000
   11.9057    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1846    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7541    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4636    1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6152    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2458    2.8490    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0995    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3784    4.8108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3152    3.7704    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6846    4.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1172    5.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1804    6.4334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8110    6.1423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8742    7.1827    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3068    8.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6763    8.8053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3701    9.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0007    9.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6313    8.9724    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8413    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2497    2.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4622    2.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    2.8413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746    4.2413    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  2  1  0  0  0  0
  5  2  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
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
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 13  8  1  0  0  0  0
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 19 18  3  0  0  0  0
 20  7  1  0  0  0  0
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 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 34  1  0  0  0  0
 38 23  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 43 20  1  0  0  0  0
 43 38  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006321-3D
FYIcenter.com

 69 73  0  0  0  0  0  0  0  0999 V2000
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    2.0893   -0.8853    0.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909   -0.6926   -0.6521 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9102    4.9480    0.3898 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8344    5.9155    0.7733 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5417    7.2676    0.6926 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3625    7.7194    0.1121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0420    9.1154    0.1621 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5369    9.8425    1.7913 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-12-17, 1092👍, 0💬