Molecule FYI-1004446

A

Molecule Summary:

ID: FYI-1004446
Names:
InChIKey: FFFHORALFDCYLV-UHFFFAOYSA-N
SMILES: Cc2c(NC(=O)c1ccc(O)cc1)cccc2Nc4cnc3[nH]ccc3c4C

Received at FYIcenter.com on: 2023-09-06

Molecule ID: FYI-1004446 Edit

Molecule Structure InChIKey: FFFHORALFDCYLV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2c(NC(=O)c1ccc(O)cc1)cccc2Nc4cnc3[nH]ccc3c4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1004446
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1960   10.4694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8036   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2342    9.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8657    6.0560    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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  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
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 13  7  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17  2  1  0  0  0  0
 19 18  2  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  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  2  0  0  0  0
 26 18  1  0  0  0  0
 27 26  1  0  0  0  0
 18 28  1  0  0  0  0
 17 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004446-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    2.5474   -0.0584    0.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0860   -0.0050    0.3012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4382    1.2109   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1527    2.4324   -0.1226 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9706    3.3725   -1.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2292    3.2588   -2.1011 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8572    4.5703   -1.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3957    5.1307   -2.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2489    6.2378   -2.1239 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5411    6.7861   -0.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3777    7.8543   -0.7433 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9807    6.2614    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332    5.1545    0.2026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9431    1.2240   -0.2773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6899    0.0573   -0.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0465   -1.1505    0.0575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3464   -1.2175    0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916   -2.4927    0.3149 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4788   -3.7272   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2486   -3.7599   -1.3889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9452   -4.8060   -1.8986 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8333   -5.9069   -1.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5031   -7.0735   -1.3954 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -8.0291   -0.4936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2075   -7.4488    0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0485   -6.0810   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6705   -4.9587    0.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5777   -5.0695    1.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    0.9239    0.8482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1287   -0.5427   -0.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6705   -0.6084    1.6062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0224    2.5019    0.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1622    4.6980   -3.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6673    6.6563   -3.0349 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7556    8.0710   -1.6118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1962    6.7199    1.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6860    4.7676    1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4614    2.1553   -0.4946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7677    0.0800   -0.3091 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6552   -2.0512    0.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4531   -2.5918    1.2125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3212   -2.8662   -2.0055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1755   -7.1799   -2.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5254   -9.0301   -0.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2744   -7.9538    1.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6325   -6.0987    2.0496 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2142   -4.4394    2.4965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5957   -4.7715    1.4049 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 13  2  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 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 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 27  2  0  0  0  0
 20 21  2  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 26  2  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  2  0  0  0  0
 24 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 46  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-16, 2094👍, 0💬