Molecule FYI-1009424

A

Molecule Summary:

ID: FYI-1009424
Names:
InChIKey: PTUJGOPYAUZFTP-XDWQGVTOSA-L
SMILES: Cc8cc(NS(=O)(=O)c7ccc([N+]2=Cc1cc(Cl)cc(Br)c1O[Cu]24([OH2+])([OH2+])Oc3c(Br)cc(Cl)cc3C=[N+]4c6ccc(S(=O)(=O)Nc5cc(C)on5)cc6)cc7)no8

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009424 Edit

Molecule Structure InChIKey: PTUJGOPYAUZFTP-XDWQGVTOSA-L

Molecule Structure SMILES String: Cc8cc(NS(=O)(=O)c7ccc([N+]2=Cc1cc(Cl)cc(Br)c1O[Cu]24([OH2+])([OH2+])Oc3c(Br)cc(Cl)cc3C=[N+]4c6ccc(S(=O)(=O)Nc5cc(C)on5)cc6)cc7)no8

Download SDF Download SVG Structure in 2D SDF:

FYI-1009424
FYIcenter.com

 57 64  0  0  0  0  0  0  0  0999 V2000
   10.5354   10.7556    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.4882   11.6843    0.0000 Cu  0  0  0  0  0  0  0  0  0  0  0  0
    9.4882   10.2846    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.1935    9.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   10.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517    9.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517    8.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396    7.4853    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4274    8.1851    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    7.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    8.0545    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6998    5.8023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    4.5236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0690    6.0933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9398    6.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3394    6.2732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0406    7.4177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759    8.1851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7003    9.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9124   10.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9124   11.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7003   12.3841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1245   12.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1245   13.7838    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   14.3368   11.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3368   10.2846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5489    9.5848    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.1245    9.5848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4408   12.6129    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.4882   13.0839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759   13.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759   15.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4882   15.8833    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   15.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8517   15.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396   15.8833    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8517   13.7838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   13.0839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638   11.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759   10.9844    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    8.2857    9.7617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638    8.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0630    7.7567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759    6.7854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2759    5.3858    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638    4.6859    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0638    3.2863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9315    2.4636    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3640    1.1325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7637    1.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5864    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    2.4636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9758    4.1737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6756    5.3858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4882    7.4853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4882    8.8849    0.0000 C   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  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  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  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 13  2  0  0  0  0
 15 10  1  0  0  0  0
 16  8  2  0  0  0  0
 17  8  2  0  0  0  0
 18  7  1  0  0  0  0
 19 18  2  0  0  0  0
 19  4  1  0  0  0  0
 20  3  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23  2  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 27  2  0  0  0  0
 29 21  1  0  0  0  0
 30  2  1  0  0  0  0
 31  2  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 33  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 36  1  0  0  0  0
 39 38  2  0  0  0  0
 39 32  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  2  0  0  0  0
 41  2  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  1  0  0  0  0
 53 51  2  0  0  0  0
 53 48  1  0  0  0  0
 54 46  2  0  0  0  0
 55 46  2  0  0  0  0
 56 45  1  0  0  0  0
 57 56  2  0  0  0  0
 57 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009424-3D
FYIcenter.com

 85 92  0  0  0  0  0  0  0  0999 V2000
   -3.5199   -4.9140   -6.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5915   -4.5921   -5.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8549   -3.7798   -4.0441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7161   -3.9304   -3.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5162   -3.3841   -1.9897 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7106   -4.4566   -0.5776 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3372   -4.9990   -0.1728 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7880   -3.3230    0.4735 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3420   -5.3553   -0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8879   -6.6694   -0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3729   -6.9155    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3799   -5.8466    0.0166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9668   -5.6890    0.3213 N   0  3  0  0  0  0  0  0  0  0  0  0
   -8.3054   -6.5240    1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8726   -6.1032    2.4540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3197   -7.1747    3.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0234   -6.9535    4.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5919   -8.3449    5.3067 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  -10.2982   -5.6463    4.7833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7688   -4.5505    4.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2226   -2.7966    4.6571 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -8.9811   -4.7465    2.9008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3723   -3.6623    2.2629 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8213   -3.6646    0.3611 Cu  0  0  0  0  0  0  0  0  0  0  0  0
   -7.6794   -1.6900    0.3999 O   0  3  0  0  0  0  0  0  0  0  0  0
   -6.1873   -3.3563    1.6756 O   0  3  0  0  0  0  0  0  0  0  0  0
   -9.5606   -4.2138   -0.7626 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4339   -5.4797   -1.4857 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1003   -6.6827   -1.0752 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5626   -6.6941    0.1417 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -9.4620   -7.9595   -1.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2677   -8.0598   -2.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3615   -9.5711   -2.1504 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.7052   -6.9184   -2.5688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2640   -5.6813   -2.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4499   -4.5797   -2.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2564   -3.6669   -1.5887 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.7238   -2.4285   -2.1922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0982   -2.0795   -3.5208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6448   -0.9018   -4.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8215   -0.0312   -3.4409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2458    1.4760   -4.2134 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7157    1.5366   -4.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6696    1.5731   -5.6888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7310    3.0147   -3.5281 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9749    3.0808   -2.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2069    2.8064   -1.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5537    3.0678   -1.3820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3522    2.9868   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0444    3.4446   -2.5420 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1155    3.4772   -3.4545 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4537   -0.3268   -2.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8879   -1.5045   -1.5166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5533   -4.6764   -0.2413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2487   -4.4287   -0.4285 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8453   -4.7513   -3.8774 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968   -5.1151   -4.9979 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5070   -4.4250   -6.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6713   -6.0154   -6.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0788   -4.5938   -7.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7486   -3.2251   -3.8253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413   -2.4001   -1.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1630   -7.4601    0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6875   -7.9000    0.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9507   -7.5515    1.1172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1415   -8.2022    2.9191 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9183   -5.4983    5.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9310   -1.3948    1.3109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4344   -1.3805   -0.1618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0353   -3.9285    2.4704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7774   -2.4629    1.7844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8441   -8.8737   -0.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7315   -6.9824   -3.0565 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0165   -4.5443   -3.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7655   -2.6778   -4.1273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9649   -0.6823   -5.1551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5573    3.7711   -4.2035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4985    2.4951   -0.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7042    2.7150    0.7353 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1547    2.2292   -0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8136    3.9776    0.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8200    0.3617   -1.5946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5461   -1.6574   -0.5096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8693   -3.7678   -0.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9666   -3.3801   -0.6061 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 58  1  0  0  0  0
  1 59  1  0  0  0  0
  1 60  1  0  0  0  0
  2  3  2  0  0  0  0
  2 57  1  0  0  0  0
  3  4  1  0  0  0  0
  3 61  1  0  0  0  0
  4  5  1  0  0  0  0
  4 56  2  0  0  0  0
  5  6  1  0  0  0  0
  5 62  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 55  2  0  0  0  0
 10 11  2  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 12 13  1  0  0  0  0
 12 54  2  0  0  0  0
 13 14  2  0  0  0  0
 13 24  1  0  0  0  0
 14 15  1  0  0  0  0
 14 65  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 16 17  2  0  0  0  0
 16 66  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 67  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 24 37  1  0  0  0  0
 25 68  1  0  0  0  0
 25 69  1  0  0  0  0
 26 70  1  0  0  0  0
 26 71  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 35  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 72  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 73  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 74  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 53  2  0  0  0  0
 39 40  2  0  0  0  0
 39 75  1  0  0  0  0
 40 41  1  0  0  0  0
 40 76  1  0  0  0  0
 41 42  1  0  0  0  0
 41 52  2  0  0  0  0
 42 43  2  0  0  0  0
 42 44  2  0  0  0  0
 42 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 77  1  0  0  0  0
 46 47  1  0  0  0  0
 46 51  2  0  0  0  0
 47 48  2  0  0  0  0
 47 78  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 79  1  0  0  0  0
 49 80  1  0  0  0  0
 49 81  1  0  0  0  0
 50 51  1  0  0  0  0
 52 53  1  0  0  0  0
 52 82  1  0  0  0  0
 53 83  1  0  0  0  0
 54 55  1  0  0  0  0
 54 84  1  0  0  0  0
 55 85  1  0  0  0  0
 56 57  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-15, 173👍, 0💬