Molecule FYI-1010204

A

Molecule Summary:

ID: FYI-1010204
Names:
InChIKey: ZKYISKHHPAJHQT-UHFFFAOYSA-N
SMILES: O=C(Nc2nc(c1ccc[nH]1)cs2)c6cn5nc(N4CCC(c3ccncc3)CC4)ccc5n6

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

Molecule ID: FYI-1010204 Edit

Molecule Structure InChIKey: ZKYISKHHPAJHQT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2nc(c1ccc[nH]1)cs2)c6cn5nc(N4CCC(c3ccncc3)CC4)ccc5n6

Download SDF Download SVG Structure in 2D SDF:

FYI-1010204
FYIcenter.com

 34 39  0  0  0  0  0  0  0  0999 V2000
    2.4249    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.2451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.2451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.7451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.7451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.1451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.0451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.7451    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    3.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2539    2.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9539    3.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3539    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1768    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.5082    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5082    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1768    2.2652    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6409    2.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9723    2.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7952    3.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9723    4.4881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6409    4.0555    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 10 13  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 18  2  0  0  0  0
 13 14  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 17 21  1  0  0  0  0
 16 19  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 25  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 25 29  2  0  0  0  0
 25 26  1  0  0  0  0
 28 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010204-3D
FYIcenter.com

 56 61  0  0  0  0  0  0  0  0999 V2000
    2.6666    1.0291   -0.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650    0.1875    0.0054 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0923   -0.5237   -0.0560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1884   -0.3136   -1.0528 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3418    0.3586   -2.1630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8606    0.4111   -2.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9587    1.1375   -4.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0756    1.3821   -4.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6502    2.1018   -6.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2861    2.2686   -5.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1228    1.6958   -4.7569 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9091   -0.2403   -2.2192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3506   -0.9988   -0.7812 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.0212   -0.1337    1.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1594    0.5133    1.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5025   -0.0825    2.8260 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5357    0.3004    3.6164 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6569   -0.3735    4.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6321    0.0201    5.6414 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5638   -0.2928    7.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8134    0.9635    7.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1405    1.6552    7.5420 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4057    0.9660    8.0485 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3947   -0.1886    8.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5955   -0.7364    9.2737 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8029   -0.2096    8.9962 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8064    0.9214    8.2640 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6581    1.5356    7.7819 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1416    1.9284    6.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8735    0.6685    5.2009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7651   -1.5480    5.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7600   -1.8576    4.2140 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5783   -1.0819    3.0559 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -1.1335    2.1090 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8462   -1.1162    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0902    1.0880   -4.6588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2735    2.4557   -6.8457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4257    2.7485   -6.5928 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0694    1.6605   -4.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370   -0.3253   -2.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7210    1.3411    1.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2737   -1.0940    7.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5729   -0.6590    7.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7546    0.7287    8.9645 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9948    1.6704    7.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1265    2.6304    8.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4816   -0.6829    9.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6101   -1.6379    9.8791 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7884    1.3433    8.0717 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7552    2.4590    7.2192 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0778    2.3896    5.6897 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3502    2.6582    5.8018 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7058   -0.0382    5.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8374    0.9479    4.1415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9648   -2.1462    5.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033   -2.6947    4.4050 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 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 35  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  2  0  0  0  0
  9 37  1  0  0  0  0
 10 11  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 14 15  2  0  0  0  0
 14 34  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 30  1  0  0  0  0
 20 21  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  2  0  0  0  0
 24 25  2  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 25 48  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
 31 32  2  0  0  0  0
 31 55  1  0  0  0  0
 32 33  1  0  0  0  0
 32 56  1  0  0  0  0
 33 34  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-11, 1633👍, 0💬