Molecule FYI-1007507

A

Molecule Summary:

ID: FYI-1007507
Names:
InChIKey: GSKBUKJNAYWIJO-ZCFIWIBFSA-N
SMILES: Nc1ncnc3c1nc2CC[C@@H](OCP(=O)(O)O)Cn23

Received at FYIcenter.com on: 2024-02-27

Molecule ID: FYI-1007507 Edit

Molecule Structure InChIKey: GSKBUKJNAYWIJO-ZCFIWIBFSA-N

Molecule Structure SMILES String: Nc1ncnc3c1nc2CC[C@@H](OCP(=O)(O)O)Cn23

Download SDF Download SVG Structure in 2D SDF:

FYI-1007507
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.4249    5.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    5.4085    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5792    6.5412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7564    7.6738    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258    4.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5410    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9716    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.3412    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2875    2.7043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6799    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2493    1.2790    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    9.6416    1.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4264    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8187    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  2  9  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 13  1  0  0  0  0
  7 10  1  0  0  0  0
  3 14  1  0  0  0  0
 11 15  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007507-3D
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
    0.9819   -0.0851   -0.0883 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3646    0.0115   -0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0866   -1.1352    0.0102 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4348   -1.0459    0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1993    0.0641    0.0761 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4300    1.1647    0.0674 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0486    1.2387    0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6247    2.5580    0.0605 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7324    3.2768    0.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8605    4.7638    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2846    5.2229    0.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3224    4.3992   -0.3476 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6518    4.8948   -0.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5965    4.2413   -0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2937    4.8760   -0.6862 P   0  0  0  0  0  0  0  0  0  0  0  0
   10.7157    4.3325   -2.0527 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7758    6.4154   -0.9196 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8980    5.4759   -0.4436 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1991    2.9178    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8367    2.4617    0.0745 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6436   -0.9752    0.2501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5062    0.7531    0.2255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9716   -1.9901    0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1469    5.2041    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5934    5.1248   -0.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4652    5.1158    1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3996    6.2909    0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1164    4.5275   -1.4200 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2891    4.3952   -1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6507    3.1722   -0.7213 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9870    6.6203   -0.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2008    5.6966   -1.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6343    2.7385    1.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7314    2.2874   -0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 12 28  1  6  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
$$$$

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2024-03-07, 159👍, 0💬