Molecule FYI-1014034

A

Molecule Summary:

ID: FYI-1014034
Names:
InChIKey: ZSUJHRAMBUDSCS-UHFFFAOYSA-N
SMILES: Cc4ccc3oc(Nc2nc(O)cc(c1ccccc1)n2)nc3c4

Received at FYIcenter.com on: 2025-02-20

Molecule ID: FYI-1014034 Edit

Molecule Structure InChIKey: ZSUJHRAMBUDSCS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc3oc(Nc2nc(O)cc(c1ccccc1)n2)nc3c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014034
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
   10.3779    2.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6779    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6779    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    6.8694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    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
    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.9076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.6165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.4041    0.0000 C   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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 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  2  0  0  0  0
 20 15  1  0  0  0  0
 21 14  2  0  0  0  0
 21  9  1  0  0  0  0
 22  7  2  0  0  0  0
 23 22  1  0  0  0  0
 23  5  1  0  0  0  0
 24 23  2  0  0  0  0
 24  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014034-3D
FYIcenter.com

 38 41  0     0  0  0  0  0  0999 V2000
    2.5229    1.6924   -0.0105 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2929   -3.5834    0.0066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355    0.3554   -0.0122 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4340    0.7366   -0.0116 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4519   -0.5729   -0.0005 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3500   -1.4823   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7607   -0.1551    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8082    1.2311   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9480   -0.4509   -0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1650   -0.1496    0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7744    0.5540   -0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9644   -0.8743    0.0075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5734   -0.1928   -0.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2803    0.1816   -0.0023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9762    1.9833   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1682    1.2508    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8047   -1.7862    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4638   -0.8869    0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9023    0.4936    1.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9271    0.4725   -1.2062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4216   -2.3616    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1622    1.0922    1.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1869    1.0713   -1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8044    1.3811    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9596   -1.9597    0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9774    1.3596   -0.0151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9677    3.0661   -0.0107 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1223    1.7056   -0.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1117    1.7929   -0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6426   -2.4741    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2246   -0.3382    0.5800 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8204   -1.0281   -1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3605   -1.8694    0.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4147    0.2755    2.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4589    0.2380   -2.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6431    1.3337    2.1607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6871    1.2964   -2.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7853    1.8473    0.0193 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2 21  2  0  0  0  0
  3  9  1  0  0  0  0
  3 13  1  0  0  0  0
  3 26  1  0  0  0  0
  4 11  1  0  0  0  0
  4 13  1  0  0  0  0
  4 28  1  0  0  0  0
  5  7  1  0  0  0  0
  5 11  2  0  0  0  0
  6 13  2  0  0  0  0
  6 21  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
  9 17  2  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 10 18  1  0  0  0  0
 12 25  1  0  0  0  0
 14 19  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  2  0  0  0  0
 15 27  1  0  0  0  0
 16 29  1  0  0  0  0
 17 21  1  0  0  0  0
 17 30  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 22  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  2  0  0  0  0
 20 35  1  0  0  0  0
 22 24  2  0  0  0  0
 22 36  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 24 38  1  0  0  0  0
M  END
$$$$

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2025-03-12, 874👍, 0💬