Molecule FYI-1014604

A

Molecule Summary:

ID: FYI-1014604
Names:
InChIKey: FGWOGBVLSHTSOA-YTUVNCFRSA-O
SMILES: NC(=O)c5ccc[n+]([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1cncnc12)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]4O)c5

Received at FYIcenter.com on: 2025-05-02

Molecule ID: FYI-1014604 Edit

Molecule Structure InChIKey: FGWOGBVLSHTSOA-YTUVNCFRSA-O

Molecule Structure SMILES String: NC(=O)c5ccc[n+]([C@@H]4O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n2cnc1cncnc12)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]4O)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014604
FYIcenter.com

 43 47  0  0  1  0  0  0  0  0999 V2000
    7.1446   15.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7140   16.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1064   16.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9293   15.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3598   14.3248    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.9675   14.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1827   13.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5827   13.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0154   11.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   11.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7501   11.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827    9.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    8.9378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6703    7.5378    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   11.0703    7.5378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3703    6.3254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    6.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    7.5378    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454    8.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5454    8.7502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    6.8378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8205    7.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    6.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    7.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    6.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923    5.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    5.4454    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5229    3.8754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1535    3.5844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0072    2.1920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2861    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0881    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0249    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923    2.3719    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    8.7766    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3469   11.4281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4056   14.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6758   18.0154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8529   19.1480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0681   18.1617    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  6  1  1  0  0  0  0
  7  5  1  1  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 10 12  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  1  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 23  1  0  0  0  0
 26 28  1  1  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 36 31  1  0  0  0  0
 36 28  1  0  0  0  0
 25 37  1  6  0  0  0
 24 38  1  6  0  0  0
  9 39  1  6  0  0  0
  8 40  1  6  0  0  0
 41  3  1  0  0  0  0
 42 41  2  0  0  0  0
 43 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014604-3D
FYIcenter.com

 70 74  0  0  1  0  0  0  0  0999 V2000
    2.3594    1.3597    3.9190 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3217    1.9047    3.1257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1068    2.8631    2.4057 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6849    1.3421    3.2042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9682    0.0357    3.5939 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3050   -0.3777    3.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3103    0.5156    3.2812 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0103    1.7776    2.8788 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.1102    2.7436    2.5866 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.5958    4.0365    2.1952 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3374    4.5218    1.0430 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4616    4.4616   -0.2346 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4228    5.4481   -0.3344 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3166    5.1386   -1.4860 P   0  0  3  0  0  0  0  0  0  0  0  0
    5.4650    3.7846   -2.1075 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9428    5.2793   -0.6833 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2425    6.3447   -2.5698 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2838    5.7003   -3.8576 P   0  0  3  0  0  0  0  0  0  0  0  0
    3.3707    6.9234   -3.7295 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4074    6.1944   -4.9344 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3251    5.0558   -5.1454 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9248    4.9736   -4.8965 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1865    4.3947   -6.1058 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2298    4.3544   -5.8192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8624    5.5247   -6.4200 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6638    6.1733   -5.4008 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    5.4922   -4.6415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4187    6.2995   -4.0154 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0146    7.5575   -4.3821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5416    8.8191   -4.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9149    9.9169   -4.6165 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7953    9.7256   -5.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106    8.5579   -5.6870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823    7.5079   -5.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2348    6.3088   -7.1573 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2062    6.8232   -8.4179 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960    5.2352   -7.3701 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9232    4.4633   -8.5326 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5428    3.5713    0.9303 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6173    3.8981    1.8235 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9888    2.2516    1.4399 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0168    1.3648    1.8888 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7232    2.1912    2.8362 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4465    1.8016    3.8977 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5352    0.7203    4.6836 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1778   -0.6666    3.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5453   -1.3971    3.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3585    0.2243    3.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6634    2.8529    3.5290 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6358    5.5524    1.2618 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9942    3.4728   -0.2678 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0958    4.5992   -1.1142 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8035    6.1402   -0.2457 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1606    7.0998   -5.2109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5128    5.9614   -4.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7516    4.3466   -4.0154 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5254    3.3693   -6.2899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937    5.1486   -7.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6382    4.4101   -4.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4560    8.9724   -3.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   10.6271   -5.7133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6471    7.1275   -6.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1015    6.1927   -9.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2903    5.6451   -7.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2755    3.7844   -8.2632 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9586    3.4967   -0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4605    4.7544    2.2635 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3978    1.7407    0.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8431    1.8987    1.9477 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5225    3.2146    2.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 43  2  0  0  0  0
  5  6  2  0  0  0  0
  5 46  1  0  0  0  0
  6  7  1  0  0  0  0
  6 47  1  0  0  0  0
  7  8  2  0  0  0  0
  7 48  1  0  0  0  0
  8  9  1  0  0  0  0
  8 43  1  0  0  0  0
  9 10  1  0  0  0  0
  9 41  1  0  0  0  0
  9 49  1  1  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 11 50  1  1  0  0  0
 12 13  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 16 53  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 20 54  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
 22 56  1  0  0  0  0
 23 24  1  0  0  0  0
 23 37  1  0  0  0  0
 23 57  1  6  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 35  1  0  0  0  0
 25 58  1  6  0  0  0
 26 27  1  0  0  0  0
 26 34  1  0  0  0  0
 27 28  2  0  0  0  0
 27 59  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 34  2  0  0  0  0
 30 31  2  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 61  1  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 62  1  1  0  0  0
 36 63  1  0  0  0  0
 37 38  1  0  0  0  0
 37 64  1  6  0  0  0
 38 65  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 66  1  6  0  0  0
 40 67  1  0  0  0  0
 41 42  1  0  0  0  0
 41 68  1  6  0  0  0
 42 69  1  0  0  0  0
 43 70  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-05-12, 1091👍, 0💬