Molecule FYI-1014416

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A

Molecule Summary:

ID: FYI-1014416
Names:
InChIKey: CCNUCZYMFRUTMB-WUKNDPDISA-N
SMILES: Nc2ccc(/N=N/c1ccc(F)cc1)c(N)n2

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014416 Edit

Molecule Structure InChIKey: CCNUCZYMFRUTMB-WUKNDPDISA-N

Molecule Structure SMILES String: Nc2ccc(/N=N/c1ccc(F)cc1)c(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014416
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 14  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
 17  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014416-3D
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    1.3100    0.0111   -0.3492 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6823    0.0038   -0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3874    1.1924   -0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7625    1.1435    0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4090   -0.0884    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8036   -0.0856    0.5316 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3948   -0.9333   -0.1683 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7992   -0.9004   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000   -0.2463    0.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8990   -0.2321    1.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6015   -0.8855   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9405   -0.8572   -0.0004 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9338   -1.5644   -1.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5376   -1.5736   -1.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6024   -1.2390    0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1262   -2.5264    0.3602 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2669   -1.1993   -0.0178 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8190    0.5804    0.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9979   -0.9579   -0.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8796    2.1452   -0.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3330    2.0652    0.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9614    0.2632    1.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4408    0.2873    1.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4990   -2.0759   -1.7854 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0137   -2.1040   -1.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9784   -2.6329   -0.1817 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3982   -3.1895    0.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  2  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
$$$$

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2025-04-26, 639👍, 0💬