Molecule FYI-1001799

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A

Molecule Summary:

ID: FYI-1001799
SMILES: Nc1nc(F)nc2c1nc(F)n2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

Received at FYIcenter.com on: 2022-12-12

Molecule ID: FYI-1001799 Edit

Molecule Structure SMILES String: Nc1nc(F)nc2c1nc(F)n2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001799
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
    4.6038    1.7999    0.4713 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7278    0.7880    0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1820   -0.3773   -0.3329 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3526   -1.3497   -0.6731 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8657   -2.5152   -1.1243 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0426   -1.2227   -0.5875 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4994   -0.0921   -0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3396    0.9676    0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5410    1.9873    0.6348 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2920    1.6272    0.5303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7681    2.4021    0.8482 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2148    0.3500    0.0554 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0131   -0.4076   -0.1985 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8005   -1.2752   -0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0027    0.4350   -0.8283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2685   -0.2153   -0.5820 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4032   -1.0544   -1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4183    0.7827   -0.7330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5113    1.1994   -2.0967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1771   -0.7174    0.8761 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6200    0.0081    1.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8205   -1.9863    1.0099 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6577   -0.8494    1.1341 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3489   -0.1882    1.9438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3171   -2.2036    1.4377 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5608    1.6627    0.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2604    2.6476    0.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3528    0.3084   -0.4335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2319    1.6502   -0.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2207    1.8342   -2.2665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7646   -1.9726    0.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7444   -2.5476    2.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  2  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
  7 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 13 23  1  0  0  0  0
 23 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
 18 28  1  0  0  0  0
 18 29  1  0  0  0  0
 19 30  1  0  0  0  0
 22 31  1  0  0  0  0
 25 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001799-3D
FYIcenter.com

 32 34  0  0  1  0  0  0  0  0999 V2000
    0.8830   -0.1652    0.1413 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2662   -0.0898    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8238    1.1392    0.0196 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1648    1.2384   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6747    2.4776   -0.0953 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593    0.2332   -0.0581 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4633   -0.9640   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1058   -1.2172    0.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8646   -2.5737    0.0734 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0611   -3.1239    0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593   -4.4182    0.0246 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0588   -2.1926   -0.0120 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4753   -2.4742   -0.0808 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1118   -1.9339    1.0986 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3211   -1.2378    0.7062 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.1693    0.2598    0.9866 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9124    0.4714    2.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5594   -1.5587   -0.7670 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3705   -2.7358   -0.9364 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1719   -1.8744   -1.3033 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2224   -2.7893   -2.3988 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4355    0.6795   -0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4968   -1.0534   -0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6027   -3.5635   -0.0525 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1222   -1.6332    1.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    0.7134    0.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0880    0.7954    0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0900   -0.0131    2.5778 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0494   -0.7524   -1.3209 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3265   -3.2763   -0.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6876   -0.9596   -1.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1364   -3.1476   -2.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 24  1  6  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 18  1  0  0  0  0
 15 25  1  1  0  0  0
 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 17 28  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 29  1  6  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 31  1  6  0  0  0
 21 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-01-06, 2370👍, 0💬