Molecule FYI-1012328

A

Molecule Summary:

ID: FYI-1012328
Names:
InChIKey: HEYBMHIVSSKNFS-UHFFFAOYSA-N
SMILES: C=CC(=O)N4CCC(Oc3cc2c(Nc1ccc(Cl)c(Cl)c1F)c(C#N)cnc2cc3OC)CC4

Received at FYIcenter.com on: 2024-08-27

Molecule ID: FYI-1012328 Edit

Molecule Structure InChIKey: HEYBMHIVSSKNFS-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)N4CCC(Oc3cc2c(Nc1ccc(Cl)c(Cl)c1F)c(C#N)cnc2cc3OC)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1012328
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   16.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   15.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  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  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  2  0  0  0  0
 21 14  1  0  0  0  0
 22 21  1  0  0  0  0
 23 12  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  3  0  0  0  0
 26 23  1  0  0  0  0
 27 26  2  0  0  0  0
 28 11  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30  9  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33  7  1  0  0  0  0
 34 33  1  0  0  0  0
 34  4  1  0  0  0  0
 35  3  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012328-3D
FYIcenter.com

 56 59  0     0  0  0  0  0  0999 V2000
    1.2451    5.4917    1.2717 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9454    5.5492   -1.9448 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    2.8934    2.2716 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6112   -2.1718    0.6918 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9293    0.1907   -0.9233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8444   -4.6644   -0.2806 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6628    0.4176   -0.4562 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6442    0.6017    0.8277 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6670   -3.2031   -0.6309 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1916    0.7917    0.2318 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2541   -1.1181   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7079   -0.0348    0.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4457   -1.6940   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5351    1.0333    0.2588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2665   -0.5906   -1.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0106    0.7304   -0.3044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3053   -2.4269    0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6519   -1.4283    0.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0751   -3.6719   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954   -1.6735    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3690    1.7798    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3887   -2.9351   -0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4109   -3.9155   -0.4493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9792   -0.6864    0.3359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2974   -0.9595   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5507    1.7104    1.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5861   -2.2227   -0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2406    1.7826    0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0615   -5.5318    0.8307 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696    2.9279    0.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104    1.8099   -1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3429    0.0070    0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5684    4.1006    0.2961 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7093    2.9826   -1.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4383    4.1279   -1.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5781   -0.6595   -0.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8403    0.4224    1.4556 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2991   -0.4955    1.7693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0800   -2.2667   -0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0960   -2.4100   -1.5351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9275    1.5666   -0.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8640    1.7637    0.9981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6775   -0.0821   -2.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1428   -1.0261   -1.9339 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3419   -0.4652    0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7119    2.6199    0.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6908   -4.8970   -0.8292 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7063    0.6665    1.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5954   -2.5084   -0.7580 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8416    2.4864    1.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2507    0.8972    1.1290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8235   -6.2639    0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4214   -4.9664    1.6962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1405   -6.0652    1.0864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3144    0.9327   -1.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6128    2.9861   -2.9240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
  2 35  1  0  0  0  0
  3 30  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  5 16  2  0  0  0  0
  6 19  1  0  0  0  0
  6 29  1  0  0  0  0
  7 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 24  1  0  0  0  0
  8 28  1  0  0  0  0
  8 48  1  0  0  0  0
  9 22  1  0  0  0  0
  9 27  2  0  0  0  0
 10 32  3  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 20  2  0  0  0  0
 18 45  1  0  0  0  0
 19 23  1  0  0  0  0
 20 22  1  0  0  0  0
 20 24  1  0  0  0  0
 21 26  2  0  0  0  0
 21 46  1  0  0  0  0
 22 23  2  0  0  0  0
 23 47  1  0  0  0  0
 24 25  2  0  0  0  0
 25 27  1  0  0  0  0
 25 32  1  0  0  0  0
 26 50  1  0  0  0  0
 26 51  1  0  0  0  0
 27 49  1  0  0  0  0
 28 30  2  0  0  0  0
 28 31  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
 30 33  1  0  0  0  0
 31 34  2  0  0  0  0
 31 55  1  0  0  0  0
 33 35  2  0  0  0  0
 34 35  1  0  0  0  0
 34 56  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-28, 824👍, 0💬