Molecule FYI-1014902

A

Molecule Summary:

ID: FYI-1014902
Names:
InChIKey: NSZCAPYGXCXJQN-UHFFFAOYSA-N
SMILES: Cc4ccc(n3cc(C(=O)O)c(=O)c2cc(N(=O)=O)c(N1CCN(C)CC1)cc23)cc4

Received at FYIcenter.com on: 2025-06-07

Molecule ID: FYI-1014902 Edit

Molecule Structure InChIKey: NSZCAPYGXCXJQN-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(n3cc(C(=O)O)c(=O)c2cc(N(=O)=O)c(N1CCN(C)CC1)cc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014902
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    4.8498    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3001    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  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
 12 11  2  0  0  0  0
 12  7  1  0  0  0  0
 13 11  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
 16 10  1  0  0  0  0
 17 16  2  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21  3  1  0  0  0  0
 22 13  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 25  1  0  0  0  0
 29  8  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014902-3D
FYIcenter.com

 53 56  0     0  0  0  0  0  0999 V2000
    2.3994   -3.6427   -0.1774 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4337   -4.1343   -0.3516 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.7566   -2.3878   -0.2138 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8442   -3.2390    0.7127 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7860   -1.3986   -0.2652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8846   -0.0744    0.0182 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3591    1.3367    0.2311 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9895    0.4327    0.0637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6126   -2.8990   -0.2390 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.5140    0.1141    1.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2698    0.8923   -1.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0293    0.2687    1.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7932    1.0231   -1.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6183   -0.6684   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4886    0.1523    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8106   -0.3864   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4774   -2.0471   -0.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8080    1.5121    0.1387 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9272   -1.7915   -0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063   -2.6130   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2666   -2.4294   -0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2211   -0.2158    0.1295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785    1.8655    0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369   -1.5351    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8770    2.6048    1.2049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691    2.5353   -1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8175   -2.0172    0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8665    3.9990    1.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0585    3.9295   -1.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9573    4.6614   -0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9458    6.1520   -0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0897    1.0053    1.8116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3085   -0.7377    1.9915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8983    0.5691   -1.9947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8213    1.8696   -0.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4777   -0.6825    0.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4437    0.5091    2.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0348    1.8213   -1.7990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2230    0.0925   -1.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6255    1.2275    0.1400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2254    1.7813    1.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3146    0.6069   -0.2153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0526    2.3335   -0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0750   -3.6899   -0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0527    0.4781    0.2264 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8047    2.1001    2.1652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1471    1.9763   -2.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7850    4.5580    2.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1276    4.4340   -2.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5305    6.5269   -0.9513 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9183    6.5171   -0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3878    6.5777    0.8030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7555   -3.5969    0.7754 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2  9  1  0  0  0  0
  3  9  2  0  0  0  0
  4 27  1  0  0  0  0
  4 53  1  0  0  0  0
  5 27  2  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 18  1  0  0  0  0
  8 16  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 17  1  0  0  0  0
 10 12  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 13  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  2  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 20 44  1  0  0  0  0
 21 24  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 26  1  0  0  0  0
 24 27  1  0  0  0  0
 25 28  1  0  0  0  0
 25 46  1  0  0  0  0
 26 29  2  0  0  0  0
 26 47  1  0  0  0  0
 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 31  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 874👍, 0💬