Molecule FYI-1009114

A

Molecule Summary:

ID: FYI-1009114
Names:
InChIKey: FDNOOPZGPCMHBX-UHFFFAOYSA-N
SMILES: Oc3ncnc4cc(Nc2nc(c1ccc(Cl)cc1)cs2)ccc34

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009114 Edit

Molecule Structure InChIKey: FDNOOPZGPCMHBX-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc3ncnc4cc(Nc2nc(c1ccc(Cl)cc1)cs2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1009114
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
   11.0682    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4986    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3216    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3599    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5369    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1063    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    6.3283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    7.3686    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.4993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.4993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    5.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.3993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.2993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2993    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3993    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    5.4070    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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 11  2  0  0  0  0
 24  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009114-3D
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
    1.1980    0.3486   -0.5376 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692    0.1208    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7946    1.1676    0.8256 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9503    0.9564    1.4690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6697   -0.1801    1.4718 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2018   -1.2017    0.7379 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8984   -2.4091    0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4589   -3.5063   -0.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1916   -4.7170   -0.0256 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6658   -5.9432   -0.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210   -6.1861   -1.0309 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2183   -7.4982   -0.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0124   -7.9055   -1.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6683   -7.2334   -2.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4715   -7.5088   -3.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3951   -8.4601   -2.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8993   -8.7675   -3.7476 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0634   -9.1484   -1.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1406   -8.8740   -1.1448 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0263   -8.2956   -0.1712 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3343   -7.3610    0.4470 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2962   -3.3405   -0.8344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624   -2.1617   -0.7820 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0205   -1.0963    0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0179    1.2662   -0.2578 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3502    1.7861    2.0401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8037   -2.4914    1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9847   -4.6941    0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3306   -6.4685   -3.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2172   -6.9665   -4.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7473   -9.8837   -1.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3607   -9.3916   -0.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9384   -9.3474    0.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9231   -4.1227   -1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6438   -2.0749   -1.3582 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  2  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
 10 11  2  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 16  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 18 19  1  0  0  0  0
 18 31  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  1  0  0  0  0
 20 33  1  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
M  END
$$$$

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2024-05-05, 1599👍, 0💬