Molecule FYI-1001432

Home > Molecule

A

Molecule Summary:

ID: FYI-1001432
SMILES: NC(=O)C1=CC(=NC=N1)N2C(=NC=N2)[C@H](C)NC(=O)C3=CC(C(F)F)=CC(C(F)F)=C3

Received at FYIcenter.com on: 2022-07-25

Molecule ID: FYI-1001432 Edit

Molecule Structure SMILES String: NC(=O)C1=CC(=NC=N1)N2C(=NC=N2)[C@H](C)NC(=O)C3=CC(C(F)F)=CC(C(F)F)=C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001432
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
    9.7708   10.7512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4798    9.3817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1483    8.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5202    8.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291    7.0756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    6.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6010    6.5715    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8921    7.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8517    8.8776    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9785    4.7694    0.0000 N   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
    9.8458    2.8076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    2.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    3.7290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    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
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  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 10  1  0  0  0  0
 15 11  1  0  0  0  0
 16 15  1  0  0  0  0
 15 17  1  1  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 22  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 27  2  0  0  0  0
 31 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001432-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
    6.1955   -2.4521    0.7727 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6193   -1.2836    1.3444 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7795   -1.1288    1.7019 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5937   -0.2030    1.4658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9850    1.0413    1.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0138    2.0237    1.8683 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7351    1.7693    1.5029 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4585    0.5090    1.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3286   -0.5074    1.0752 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4061    3.3674    2.1504 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6460    4.5240    2.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4572    5.5655    2.3803 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6950    5.0071    2.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7185    3.6831    2.3107 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1551    4.5907    2.4016 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4872    5.1894    1.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9186    5.4456    3.5624 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716    5.6113    4.0980 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6941    4.9606    3.7414 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5162    6.6623    5.1414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3862    7.7551    5.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1358    8.7808    6.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0309    9.9944    6.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1032   10.5589    7.4502 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    9.7201    5.8533 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9922    8.7043    6.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1097    7.6180    6.8853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1739    7.5871    7.6755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5565    6.3286    8.0262 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1033    8.2932    8.8385 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.3863    6.5986    5.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8714   -3.1797    0.5937 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2497   -2.5344    0.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0082    1.2277    2.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326    0.2955    0.8505 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6092    5.5814    2.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7069    3.6227    2.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8076    6.2242    0.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3981    5.2133    1.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7090    4.6078    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7220    5.9478    3.9196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2433    7.8516    4.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6469   10.7511    5.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7793    9.5095    7.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9757    8.0234    7.0706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2994    5.7550    5.8719 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  2  0  0  0  0
  6 10  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 15 17  1  0  0  0  0
 15 16  1  0  0  0  0
 15 11  1  0  0  0  0
 15 37  1  1  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 31  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 45  1  0  0  0  0
 31 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 441👍, 0💬