Molecule FYI-1015779

A

Molecule Summary:

ID: FYI-1015779
Names:
InChIKey: PVCSYQLWBAGPTF-PWSUYJOCSA-N
SMILES: Nc5nc(N2CC(F)(C1CC1)C2)c4ncn([C@H]3C=C[C@@H](CO)C3)c4n5

Received at FYIcenter.com on: 2025-10-10

Molecule ID: FYI-1015779 Edit

Molecule Structure InChIKey: PVCSYQLWBAGPTF-PWSUYJOCSA-N

Molecule Structure SMILES String: Nc5nc(N2CC(F)(C1CC1)C2)c4ncn([C@H]3C=C[C@@H](CO)C3)c4n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1015779
FYIcenter.com

 25 29  0  0  1  0  0  0  0  0999 V2000
   15.1403    5.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5708    6.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7480    5.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4690    4.7288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1620    5.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6602    3.9235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9673    3.4218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2349    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9560    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8234    2.2153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9698    3.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1023    5.5694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7330    5.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    4.6480    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    3.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    3.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8097    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4845    3.7652    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
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  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  4  1  0  0  0  0
  8  6  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
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 12  1  0  0  0  0
 17 16  1  1  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 17  1  0  0  0  0
 19 22  1  1  0  0  0
 23 22  1  0  0  0  0
 24 10  1  0  0  0  0
 25  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015779-3D
FYIcenter.com

 46 50  0     1  0  0  0  0  0999 V2000
    5.2180   -0.0834   -1.4385 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1751    1.0956   -0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5466    0.3596   -0.4986 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7098   -1.3745   -0.0918 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7131    1.8334   -0.0599 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -1.8340   -0.4560 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816    1.0364    0.1759 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0554    3.3081    0.3699 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5770   -0.0540    0.8497 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5553    0.0611   -0.2604 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6200   -1.1342    0.8981 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0275    0.2937    0.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5918    1.2735   -0.2392 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2741   -0.8033   -0.1624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1761    0.5785   -0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2779   -0.4838   -0.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1919   -1.6041    0.0958 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.0611   -0.8327   -0.9161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0542   -0.1773   -0.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3353   -0.4283   -0.1563 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.7328   -1.1327    1.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8964   -0.4900    1.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7697   -2.3388   -0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6173    1.9821    0.1494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8376    0.9489   -0.5649 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.5243    0.8119    1.4821 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3796    0.5657   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975    1.7805    0.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7373    2.0030   -1.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497   -1.1872    0.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1979   -1.6000   -0.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0370    3.4859    0.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3818    4.0614    0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4753    1.9770   -0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 25  1  0  0  0  0
  2 46  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 17  1  0  0  0  0
  4 19  1  0  0  0  0
  4 23  1  0  0  0  0
  5 15  2  0  0  0  0
  5 24  1  0  0  0  0
  6 16  1  0  0  0  0
  6 23  2  0  0  0  0
  7 19  1  0  0  0  0
  7 24  2  0  0  0  0
  8 24  1  0  0  0  0
  8 44  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 26  1  0  0  0  0
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 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
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 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 16 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  1  0  0  0  0
 17 35  1  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
 20 22  1  0  0  0  0
 20 25  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  2  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

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2025-10-14, 514👍, 0💬