Molecule FYI-1004913

A

Molecule Summary:

ID: FYI-1004913
Names:
InChIKey: FSKDWNYHEBXHKS-UHFFFAOYSA-O
SMILES: Cn6cc(c1nn(C)nc2c3c(F)n(cc12)C(=O)[NH+]3C(=O)c4cc5cc(c4)[nH]nn5)cn6

Received at FYIcenter.com on: 2023-09-29

Molecule ID: FYI-1004913 Edit

Molecule Structure InChIKey: FSKDWNYHEBXHKS-UHFFFAOYSA-O

Molecule Structure SMILES String: Cn6cc(c1nn(C)nc2c3c(F)n(cc12)C(=O)[NH+]3C(=O)c4cc5cc(c4)[nH]nn5)cn6

Download SDF Download SVG Structure in 2D SDF:

FYI-1004913
FYIcenter.com

 32 37  0  0  0  0  0  0  0  0999 V2000
   11.7575    6.7436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2071    5.5075    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0024    4.4129    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4522    3.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2475    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8293    0.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9240    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0186    0.7953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3054    0.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6005    2.0822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1819    3.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5561    1.7993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7145    1.6833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3910    2.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5844    2.9805    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.4857    3.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2496    3.3103    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.0778    3.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0778    5.3398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9060    3.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    3.9868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5624    3.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5624    1.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    1.2807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9060    1.9572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1719    0.3786    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4082    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3910    1.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3854    1.0592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3112    4.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8615    5.3661    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  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  8  1  0  0  0  0
 10  5  2  0  0  0  0
 11  4  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  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
 25 20  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 22  1  0  0  0  0
 29 17  1  0  0  0  0
 29 13  1  0  0  0  0
 30 29  2  0  0  0  0
 31 16  1  0  0  0  0
 31 11  1  0  0  0  0
 32 31  2  0  0  0  0
 32  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004913-3D
FYIcenter.com

 46 51  0  0  0  0  0  0  0  0999 V2000
   13.4600   -4.5058    4.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1568   -4.0321    4.4354 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5307   -4.2400    3.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2919   -3.6134    3.3020 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2989   -3.5660    2.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5936   -4.0003    1.0589 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6209   -3.9356    0.0978 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4860   -5.0976   -0.7809 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6677   -2.9393    0.0665 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3482   -2.4246    1.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2147   -1.3100    1.4380 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3636   -1.0343    2.7668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615    0.0407    3.2061 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9865   -2.2558    3.4224 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1735   -2.9801    3.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9948   -2.9727    2.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0084   -2.8075    2.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5127   -3.9081    2.4210 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8587   -1.8488    1.4676 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6752   -1.6577    0.7438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7423   -1.7762    1.5283 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4014   -0.9462   -0.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170   -0.9433   -1.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6475   -0.4070   -2.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164    0.6716   -2.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7735    0.1256   -1.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0944   -0.4284   -0.7065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0412   -0.7600   -2.8575 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8314   -1.5968   -3.6712 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0957   -1.3703   -3.7392 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3109   -3.0299    4.5943 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4228   -3.2926    5.2826 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9522   -4.9968    4.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3262   -5.2155    5.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0562   -3.6506    5.1769 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0068   -4.8022    2.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3590   -5.7586   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3897   -4.7946   -1.8261 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6091   -5.6901   -0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3719   -3.4699    4.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3780   -1.2399    2.1658 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0848   -1.5894   -1.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5225    1.1941   -3.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2883   -0.6706   -0.0152 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2140   -1.2022   -2.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5732   -2.4064    5.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  2  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  2  3  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 17  1  0  0  0  0
 15 16  2  0  0  0  0
 15 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 30  1  0  0  0  0
 25 26  2  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 44  1  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  2  0  0  0  0
 31 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-11, 1126👍, 0💬