Molecule FYI-1002425

A

Molecule Summary:

ID: FYI-1002425
Names:
InChIKey: DWYRIWUZIJHQKQ-UHFFFAOYSA-N
SMILES: Cn6cc(c5cc4c(N3CCN(c2ncc(C(C)(N)c1ccc(F)cc1)cn2)CC3)ncnn4c5)cn6

Received at FYIcenter.com on: 2023-03-17

Molecule ID: FYI-1002425 Edit

Molecule Structure InChIKey: DWYRIWUZIJHQKQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn6cc(c5cc4c(N3CCN(c2ncc(C(C)(N)c1ccc(F)cc1)cn2)CC3)ncnn4c5)cn6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002425
FYIcenter.com

 37 42  0  0  0  0  0  0  0  0999 V2000
   14.4663    8.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7663    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9787    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9787    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1911    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4036    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4036    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1911    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6160    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5539    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3415    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1290    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.1290    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3415    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.5539    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9166    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9166    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2793    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8544    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8544    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7758    4.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3834    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140    3.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    5.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    6.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.7439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    5.6745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    9.1363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    8.2124    0.0000 N   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  2  1  0  0  0  0
 11 10  2  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
 15 10  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  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
 27 22  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 26  1  0  0  0  0
 31 29  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 31  1  0  0  0  0
 36 33  1  0  0  0  0
 37  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002425-3D
FYIcenter.com

 64 69  0     1  0  0  0  0  0999 V2000
   -9.2978    0.4190   -2.9326 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0474    1.8005    0.0984 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6236    0.8015    0.4989 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6899    1.9538   -0.3592 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5298    3.5544   -0.2089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5442    0.7188    1.8139 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4020   -0.4967   -0.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4497   -0.6733    2.5477 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9091    3.2852   -0.4816 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9881   -3.7028   -0.3765 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1291   -3.2014    0.1262 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6501    0.4823   -0.3887 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381    2.5931    0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1516    0.4304   -0.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020    1.6972    1.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3032    2.2698   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9151    0.3192    0.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4514    1.3984   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7826   -1.1231    1.2719 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.4064   -0.6100    1.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6031    0.0312   -0.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9858   -0.2443   -0.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7484   -0.6996    0.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6337    0.9610   -0.4035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7934    0.2333    1.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6555   -0.9449   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7518   -2.6827    1.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8242    4.0023   -0.3999 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5727   -1.5645   -0.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9715    0.6522   -0.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3867   -1.6733   -0.6515 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0240   -2.7638   -0.5984 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8694   -1.8949    0.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8328    1.0304   -1.1749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2481   -1.2954   -1.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4711    0.0565   -1.9430 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8777   -5.1199   -0.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8596   -0.2673    0.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1778    0.2219   -1.3132 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5468    3.2580    0.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5067    3.2238    1.5607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0815   -0.5884   -1.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0989    1.1145   -1.5071 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7354    2.3538    1.9509 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4733    1.0967    2.2619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8465   -0.7178    0.0797 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6793    1.1990   -0.5500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2728    0.5709    2.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0379   -1.6008   -0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1076   -2.9515    2.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3391   -3.1976    0.5894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7446   -3.1031    1.6695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3794   -1.0871    2.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5844    0.3368    2.5324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9339    5.0955   -0.4917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4825    1.4266    0.4396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2469   -2.7370   -0.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0541   -3.0227   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6413   -1.2448    0.6115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0063    2.0827   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7444   -2.0526   -2.2811 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6483   -5.4025   -1.3487 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0228   -5.6487    0.3181 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8874   -5.3432   -1.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 36  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  2 16  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  3 17  1  0  0  0  0
  4  9  1  0  0  0  0
  4 18  1  0  0  0  0
  4 24  1  0  0  0  0
  5 16  2  0  0  0  0
  5 28  1  0  0  0  0
  6 17  2  0  0  0  0
  6 25  1  0  0  0  0
  7 17  1  0  0  0  0
  7 26  2  0  0  0  0
  8 19  1  0  0  0  0
  8 53  1  0  0  0  0
  8 54  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 37  1  0  0  0  0
 11 33  2  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 15  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 18  1  0  0  0  0
 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 27  1  0  0  0  0
 20 25  2  0  0  0  0
 20 26  1  0  0  0  0
 21 22  1  0  0  0  0
 21 46  1  0  0  0  0
 22 24  2  0  0  0  0
 22 29  1  0  0  0  0
 23 30  2  0  0  0  0
 23 31  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 26 49  1  0  0  0  0
 27 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 28 55  1  0  0  0  0
 29 32  2  0  0  0  0
 29 33  1  0  0  0  0
 30 34  1  0  0  0  0
 30 56  1  0  0  0  0
 31 35  2  0  0  0  0
 31 57  1  0  0  0  0
 32 58  1  0  0  0  0
 33 59  1  0  0  0  0
 34 36  2  0  0  0  0
 34 60  1  0  0  0  0
 35 36  1  0  0  0  0
 35 61  1  0  0  0  0
 37 62  1  0  0  0  0
 37 63  1  0  0  0  0
 37 64  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-05, 2233👍, 0💬