Molecule FYI-1001761

A

Molecule Summary:

ID: FYI-1001761
SMILES: FC(F)(F)OC1C=C(C=C(C=1)C(=O)N[C@@H](C)C2N(C3=NC=CC=N3)N=C(C(C)(C)F)N=2)S(=O)(=O)C(F)F

Received at FYIcenter.com on: 2022-11-21

Molecule ID: FYI-1001761 Edit

Molecule Structure SMILES String: FC(F)(F)OC1C=C(C=C(C=1)C(=O)N[C@@H](C)C2N(C3=NC=CC=N3)N=C(C(C)(C)F)N=2)S(=O)(=O)C(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1001761
FYIcenter.com

 37 39  0  0  1  0  0  0  0  0999 V2000
    8.9139    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2139    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    0.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.5139    2.4248    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6387    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6387    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4263    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2139    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2139    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0014    7.5124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7890    5.4124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5765    6.1124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5765    7.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3641    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0852    5.9818    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7941    7.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344    8.2880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5434    9.6574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119   10.0901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1715    9.1533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4626    7.7839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484    4.9415    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8484    3.7290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790    2.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    1.8806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7095    1.1711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0194    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2178    4.0201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8512    6.1124    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.5512    7.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1512    7.3248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0636    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0636    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2761    6.1124    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
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  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
 11 10  1  0  0  0  0
 11  6  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 18  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 30 27  1  0  0  0  0
 31 26  1  0  0  0  0
 31 17  2  0  0  0  0
 32  8  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  2  0  0  0  0
 35 32  1  0  0  0  0
 36 35  1  0  0  0  0
 37 35  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001761-3D
FYIcenter.com

 55 57  0  0  1  0  0  0  0  0999 V2000
    4.3628   -1.1808    0.1866 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6708   -1.4799    0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8158   -2.2153    1.4455 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0546   -2.2327   -0.7308 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5239   -0.3405    0.4112 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9595    0.8985    0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9340    1.2888   -0.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4269    2.5894   -0.3792 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9860    3.5236    0.4981 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0554    3.1464    1.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5384    1.8335    1.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5964    4.1499    2.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8558    5.0389    2.6929 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9194    4.0222    2.6565 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5538    4.9455    3.5988 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5061    4.3529    5.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9641    5.2003    3.1318 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2905    5.9726    2.0218 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459    6.7734    1.1880 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1692    6.9673    1.5671 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4026    7.7470    0.7847 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8604    8.3404   -0.3634 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1736    8.0881   -0.6774 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9831    7.3205    0.0744 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6307    5.8836    1.7860 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0762    5.1818    2.8326 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5541    4.9576    3.0648 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1684    4.0808    1.9745 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3131    6.2883    3.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7672    4.3141    4.2583 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0803    4.7085    3.6525 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0645    3.0655   -1.4252 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5341    4.2007   -2.2014 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6147    1.8644   -2.1136 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7793    3.5908   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4496    2.6191    0.6181 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    4.6804    0.4566 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5182    0.5948   -1.1907 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6099    4.5450    0.5422 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3442    1.5065    1.9159 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4881    3.2670    2.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9911    5.8821    3.6493 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0126    3.3825    5.0596 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4678    4.1957    5.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9798    5.0218    5.7355 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3804    7.8818    1.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2306    8.9675   -0.9781 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6320    8.5091   -1.5675 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0839    4.5399    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6767    3.1026    1.9412 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2293    3.8977    2.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2437    6.8572    2.2151 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3735    6.1172    3.3632 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9191    6.9128    3.9557 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8920    3.8489   -0.8620 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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 39  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 42  1  6  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  2  0  0  0  0
 23 48  1  0  0  0  0
 25 26  2  0  0  0  0
 26 27  1  0  0  0  0
 26 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 52  1  0  0  0  0
 29 53  1  0  0  0  0
 29 54  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  2  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-12-14, 2132👍, 0💬