Molecule FYI-1015781

A

Molecule Summary:

ID: FYI-1015781
Names:
InChIKey: SYZQXDYYKXCCBQ-BDAKNGLRSA-N
SMILES: Nc4nc(N1CC(O)(C(F)(F)F)C1)c3ncn([C@H]2C=C[C@@H](CO)C2)c3n4

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

Molecule ID: FYI-1015781 Edit

Molecule Structure InChIKey: SYZQXDYYKXCCBQ-BDAKNGLRSA-N

Molecule Structure SMILES String: Nc4nc(N1CC(O)(C(F)(F)F)C1)c3ncn([C@H]2C=C[C@@H](CO)C2)c3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015781
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    3.7039    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0329    1.3587    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9698    0.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2487    0.8877    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1024    2.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7329    2.5711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3003    3.9027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2372    4.9430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6065    4.6519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0391    3.3205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4086    3.0295    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1711    1.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3452    2.6177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5827    3.7919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7146    2.3267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0057    3.6962    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0841    2.0356    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4235    0.9573    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1382    3.7716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8044    6.2745    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.6834    0.0000 O   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
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  5  6  1  1  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
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 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 24 12  1  0  0  0  0
  2 25  1  1  0  0  0
 26 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015781-3D
FYIcenter.com

 43 46  0     1  0  0  0  0  0999 V2000
    6.4988   -0.6735   -0.3351 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9818    1.4475   -0.1614 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5639    0.0790    1.4966 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3242   -0.2064   -1.8605 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3237   -1.1320    0.2716 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3954   -0.2970    0.4656 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8826    1.3819    0.0550 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5692   -1.8035    0.1173 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692    1.8746    0.3657 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362   -1.0368   -0.1149 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1919   -3.3100   -0.2233 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2272   -0.0894   -0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1130    0.8545    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4474   -1.2206    0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3695    1.5908   -0.1184 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.2157    0.8545    0.9381 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6039    0.1984    0.1588 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0238   -0.5368    0.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4977    0.4080    0.2159 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1158    0.5168    0.2406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2167    0.1895    0.0464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9263    1.0605   -1.4069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0816    0.4141   -1.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9809   -0.9554    0.6889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9478    2.3638    0.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630   -1.9722   -0.0646 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3634    1.4980    0.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6470    1.4468   -0.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1986   -2.0691   -0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8501   -1.5887    1.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5248    2.6752   -0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4523    1.5194    1.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6870   -0.0040    1.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2899    1.1560    0.3485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4669    1.2152   -2.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6694   -0.0106   -2.0240 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4204   -0.3878   -2.1702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9645   -1.0101    1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3715   -1.7727    0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2098    3.4119    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6113   -2.0037    0.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1742   -3.5029   -0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5112   -4.0564   -0.1952 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 17  1  0  0  0  0
  3 17  1  0  0  0  0
  4 12  1  0  0  0  0
  4 37  1  0  0  0  0
  5 24  1  0  0  0  0
  5 41  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 18  1  0  0  0  0
  7 15  1  0  0  0  0
  7 21  1  0  0  0  0
  7 25  1  0  0  0  0
  8 18  2  0  0  0  0
  8 26  1  0  0  0  0
  9 20  1  0  0  0  0
  9 25  2  0  0  0  0
 10 21  1  0  0  0  0
 10 26  2  0  0  0  0
 11 26  1  0  0  0  0
 11 42  1  0  0  0  0
 11 43  1  0  0  0  0
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 12 17  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 18 20  1  0  0  0  0
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 19 24  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  2  0  0  0  0
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 22 35  1  0  0  0  0
 23 36  1  0  0  0  0
 24 38  1  0  0  0  0
 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-10-14, 510👍, 0💬