Molecule FYI-1010228

A

Molecule Summary:

ID: FYI-1010228
Names:
InChIKey: ADKHJWZZMLXAJM-UHFFFAOYSA-N
SMILES: O=C(O)c5ccc(c4nc3ccc(C(=O)Nc2nc(c1ccc[nH]1)cs2)cc3s4)cc5

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010228 Edit

Molecule Structure InChIKey: ADKHJWZZMLXAJM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)c5ccc(c4nc3ccc(C(=O)Nc2nc(c1ccc[nH]1)cs2)cc3s4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1010228
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    9.4612   12.4780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488   11.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363   12.4780    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8239   11.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5450   12.3473    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081   11.3070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   11.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5158   12.6657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1464   12.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.9823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2790   10.4130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3081   10.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6776   10.3857    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488   10.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    9.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0363    8.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4612    9.6780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4612    8.2780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2488    7.5779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5399    6.2086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322    6.0622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6322    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9322    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6322    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0322    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7322    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0322    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1322    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7322    3.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0322    4.8498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5016    7.3412    0.0000 S   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  2  0  0  0  0
  6  5  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
 11  7  1  0  0  0  0
 12  6  2  0  0  0  0
 13 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 14  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 16  1  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
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  2  0  0  0  0
 29 25  1  0  0  0  0
 30 29  2  0  0  0  0
 30 22  1  0  0  0  0
 31 21  1  0  0  0  0
 31 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010228-3D
FYIcenter.com

 45 49  0  0  0  0  0  0  0  0999 V2000
    3.4084   -0.6722   -2.0912 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7705    0.1896   -1.5083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5362   -0.0137   -1.0005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2793    1.5709   -1.3304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0950    2.1367   -2.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6121    3.4357   -2.1694 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3331    4.1966   -1.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8848    5.5731   -0.8572 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6075    6.2828   -1.7198 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0219    7.4985   -1.1400 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8377    8.5335   -1.6767 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2446    9.6372   -0.8637 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8198    9.7331    0.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2469   10.7025    1.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7061   10.5647    2.6302 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1871   11.6748    1.2737 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6268   12.4409    2.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5079   12.2003    3.6225 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9450   13.2862    4.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8393   13.3056    5.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1351   14.3358    6.7095 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8637   13.8817    8.0261 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4193   12.5822    7.9253 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3963   12.2449    6.5931 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4533   14.3214    3.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4114   13.8999    1.9244 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9218    8.7701    0.9428 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5696    7.6765    0.1551 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5791    6.3861    0.6307 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.5296    3.5848   -0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0110    2.2909   -0.1719 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0599    0.7909   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3369    1.5560   -3.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2528    3.8401   -2.9519 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1771    8.4559   -2.7068 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9051   10.3800   -1.3039 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4593   11.9484    0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4954   15.3201    6.4401 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9771   14.4450    8.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1122   11.8739    8.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1062   11.3553    6.2052 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8398   15.2724    3.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5365    8.8202    1.9591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2955    4.0943    0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4398    1.8656    0.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  2  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  2  0  0  0  0
 11 12  2  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  2  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  2  0  0  0  0
 20 24  1  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  2  0  0  0  0
 22 39  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
 28 29  1  0  0  0  0
 30 31  1  0  0  0  0
 30 44  1  0  0  0  0
 31 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1492👍, 0💬