Molecule FYI-1001463

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Molecule Summary:

ID: FYI-1001463
SMILES: C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1

Received at FYIcenter.com on: 2022-07-31

Molecule ID: FYI-1001463 Edit

Molecule Structure SMILES String: C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001463
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.8000    0.0000 N   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
    6.0622    7.7000    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
    4.8498    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    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
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  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  1  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 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  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 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 21  2  0  0  0  0
 28 27  1  0  0  0  0
 28  9  1  0  0  0  0
 28 13  2  0  0  0  0
 29  7  2  0  0  0  0
 29  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001463-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
   -2.8745    2.8735    2.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8602    3.2895    2.3878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6498    3.7901    1.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3559    5.1507    1.9141 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8125    5.6480    1.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    4.7786    0.6928 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4329    3.4019    0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733    2.5134   -0.0883 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6985    2.5772   -0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2908    3.1973    0.9634 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6218    3.1690    1.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4246    2.5726    0.1232 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8348    1.9495   -0.9026 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6368    1.3308   -1.8591 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1295    0.6765   -3.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1564    0.2417   -3.8121 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8979    0.1231   -5.1988 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1275    0.2563   -6.0899 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6259    0.0278   -7.4117 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6051    0.0863   -8.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7416    0.5975   -3.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9666    0.0805   -4.1538 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2764   -1.1848   -4.7256 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458   -2.2034   -4.5964 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350   -1.7368   -5.1905 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9447   -2.7604   -5.1905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9282    1.2267   -2.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4514    1.9061   -1.0643 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2268    2.9263    1.1647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7809    2.5096    3.3018 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313    5.8289    2.4285 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0415    6.7086    1.3966 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5923    5.1857    0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9422    2.5129   -1.0485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0947    3.6751    1.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7151    1.3814   -1.7305 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1402    0.8376   -5.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5645   -0.8952   -5.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8805   -0.4986   -5.8300 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5817    1.2482   -6.0042 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0950   -0.0871   -9.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3545   -0.6968   -8.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0705    1.0739   -8.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1533   -1.6414   -4.2607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4426   -1.0010   -5.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9667   -2.4282   -3.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4616   -3.1190   -5.1128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0109   -2.3448   -5.5773 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7703   -3.1327   -4.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2559   -3.5842   -5.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8523    1.1857   -2.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0091    1.8645    1.0847 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  2  0  0  0  0
  4  5  2  0  0  0  0
  4 31  1  0  0  0  0
  5  6  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  2  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 20 41  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 27  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
 27 51  1  0  0  0  0
 29 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-08-27, 436👍, 0💬