Molecule FYI-1000210

A

Molecule Summary:

ID: FYI-1000210
SMILES: CC1=CN(C=N1)C2=CC(=CC(NC(=O)C3=CC=C(C)C(NC4=NC=CC(=N4)C5=CC=CN=C5)=C3)=C2)C(F)(F)F

Received at FYIcenter.com on: 2020-12-22

Molecule ID: FYI-1000210 Edit

Molecule Structure SMILES String: CC1=CN(C=N1)C2=CC(=CC(NC(=O)C3=CC=C(C)C(NC4=NC=CC(=N4)C5=CC=CN=C5)=C3)=C2)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1000210
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
   14.5201    5.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    5.8291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1910    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0584    4.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4277    4.6167    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0871   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  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
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 26  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33 28  1  0  0  0  0
 34 20  2  0  0  0  0
 34 15  1  0  0  0  0
 35 11  2  0  0  0  0
 35  7  1  0  0  0  0
 36  9  1  0  0  0  0
 37 36  1  0  0  0  0
 38 36  1  0  0  0  0
 39 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000210-3D
FYIcenter.com

 61 65  0  0  0  0  0  0  0  0999 V2000
    1.3982   -0.7259    0.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7140   -0.3476    0.4274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5497    0.6743    0.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6774    0.5893    0.0261 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4334   -0.4624   -0.8312 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2732   -1.0430   -0.6097 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8467    1.4041    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9514    2.3602    1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1056    3.1342    1.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1512    2.9593    0.3607 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0909    1.9946   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1886    1.7335   -1.5037 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4888    2.1596   -1.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8632    2.7926   -0.2794 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5298    1.7594   -2.2424 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2822    1.5364   -3.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3405    1.1605   -4.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6557    1.0278   -3.9295 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7326    0.5639   -4.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9261    1.3562   -2.5886 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2219    1.3600   -2.0470 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7265    2.2014   -1.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8179    1.7814   -0.3911 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2930    2.5851    0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7827    3.8297    0.8548 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7063    4.2260    0.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1552    3.3984   -0.8253 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.1254    5.5777    0.1604 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7550    5.8130   -0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2486    7.1122   -0.0012 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1314    8.1568    0.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4569    7.9931    0.3987 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.9117    6.7133    0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8406    1.6712   -1.7605 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9180    1.2356   -0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2768    4.1126    2.4057 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2053    4.1533    3.2457 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.3497    3.8170    3.1906 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    5.3896    1.9754 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0613    0.0048    1.7294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4620   -1.7022    1.4762 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6459   -0.7787    0.1951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4193    1.4155    1.5898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1323   -0.7871   -1.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1579    2.5087    1.8557 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0205    3.6022    0.4813 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0492    1.0519   -2.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2935    1.6707   -4.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1374    0.9783   -5.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3015    0.1468   -5.7886 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3224   -0.2367   -4.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3885    1.3940   -5.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9856    1.0571   -2.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1358    2.1904    1.1384 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2183    4.4538    1.6234 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0743    4.9802   -0.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1915    7.3030   -0.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7897    9.1920    0.2216 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9898    6.6398    0.4816 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0211    1.8532   -0.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8770    0.4968   -1.5877 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 44  1  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  9 10  2  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 46  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  2  0  0  0  0
 12 13  1  0  0  0  0
 12 47  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 17 18  2  0  0  0  0
 17 49  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  2  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 33  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 30 31  2  0  0  0  0
 30 57  1  0  0  0  0
 31 32  1  0  0  0  0
 31 58  1  0  0  0  0
 32 33  2  0  0  0  0
 33 59  1  0  0  0  0
 34 60  1  0  0  0  0
 35 61  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 39  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2021-08-01, 3069👍, 0💬