Molecule FYI-1014420

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A

Molecule Summary:

ID: FYI-1014420
Names:
InChIKey: KCCYQGHCLKSVJI-BUHFOSPRSA-N
SMILES: Nc2ccc(/N=N/c1ccco1)c(N)n2

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

Molecule ID: FYI-1014420 Edit

Molecule Structure InChIKey: KCCYQGHCLKSVJI-BUHFOSPRSA-N

Molecule Structure SMILES String: Nc2ccc(/N=N/c1ccco1)c(N)n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014420
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    9.4905    4.4834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    0.2834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    2.3834    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
 12  8  1  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 15  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014420-3D
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    1.2320   -0.0152   -0.2600 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6040    0.0195   -0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599    1.2340    0.0791 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6323    1.2357    0.3040 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3334    0.0263    0.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7278   -0.0349    0.6451 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3218    0.9506    0.1586 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6499    1.0537    0.4180 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5554    0.2333    1.0804 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8223    0.8645    1.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6331    2.0427    0.3697 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3393    2.1659   -0.0108 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5746   -1.1501    0.2678 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1622   -2.4170    0.3920 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2359   -1.1622    0.0660 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7207    0.5444    0.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9456   -0.9914   -0.2365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7197    2.1690   -0.0179 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1528    2.1838    0.4018 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3114   -0.7157    1.5367 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7530    0.5079    1.4623 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2816    2.8617    0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9787   -2.4970   -0.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4441   -3.1031    0.1729 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  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
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 131👍, 0💬