Molecule FYI-1007735

A

Molecule Summary:

ID: FYI-1007735
Names:
InChIKey: DLYHIJZSZUMFEL-UHFFFAOYSA-N
SMILES: Cc4ccc(NC(=O)Nc3ccc(c1cccc2onc(N)c12)cc3)cc4

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007735 Edit

Molecule Structure InChIKey: DLYHIJZSZUMFEL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4ccc(NC(=O)Nc3ccc(c1cccc2onc(N)c12)cc3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007735
FYIcenter.com

 27 30  0  0  0  0  0  0  0  0999 V2000
   14.5493    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5035    0.1463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8959    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8347    1.5701    0.0000 N   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  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
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 20  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 19  1  0  0  0  0
 27 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007735-3D
FYIcenter.com

 45 48  0     0  0  0  0  0  0999 V2000
    6.6373   -1.5282   -0.2291 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5701   -0.0087   -1.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5943    0.5052    1.0322 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6812   -2.4507    0.1780 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3409   -2.2851    0.6288 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8870    0.2714    0.8771 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9024    0.7412   -0.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7051   -0.4052   -0.0801 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4946    0.6799    0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0523   -0.3088   -0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5069    1.9424   -0.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5680    0.3902   -0.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0511    0.9111    1.4413 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5393   -1.7614    0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2326    0.5633    0.7338 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6849    0.8660   -0.7785 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8724    2.0012   -0.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2066    0.3320   -0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6897    0.8528    1.7393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1962    0.0546    0.3863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6785    0.2300    0.1635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7595   -0.3699   -0.5743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2696    0.1415    1.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3771   -0.2401   -0.9550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5604   -0.0723    0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6679   -0.4538   -1.4388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1396   -0.5986   -1.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9157    2.8526   -0.6511 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8944    0.2068   -1.8891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565    1.1377    2.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7431    0.9018   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3118    2.9479   -1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4427    0.1020   -1.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3616    1.0348    2.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4776   -1.7593    0.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.8116   -0.6870   -2.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3964   -1.6601   -1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8759   -0.0203   -0.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2259   -0.2860   -2.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 10  1  0  0  0  0
  2 21  2  0  0  0  0
  3 15  1  0  0  0  0
  3 21  1  0  0  0  0
  3 35  1  0  0  0  0
  4 14  2  0  0  0  0
  5 14  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 16  2  0  0  0  0
 11 17  2  0  0  0  0
 11 28  1  0  0  0  0
 12 18  1  0  0  0  0
 12 29  1  0  0  0  0
 13 19  2  0  0  0  0
 13 30  1  0  0  0  0
 15 18  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 23  2  0  0  0  0
 20 24  1  0  0  0  0
 22 25  2  0  0  0  0
 22 26  1  0  0  0  0
 22 27  1  0  0  0  0
 23 25  1  0  0  0  0
 23 39  1  0  0  0  0
 24 26  2  0  0  0  0
 24 40  1  0  0  0  0
 25 41  1  0  0  0  0
 26 42  1  0  0  0  0
 27 43  1  0  0  0  0
 27 44  1  0  0  0  0
 27 45  1  0  0  0  0
M  END
$$$$

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2024-03-23, 144👍, 0💬