Molecule FYI-1002126

A

Molecule Summary:

ID: FYI-1002126
Names:
InChIKey: OEYODNDISWRIOD-UHFFFAOYSA-N
SMILES: COc4ccc(COc3ccc(N2CCN(C(=O)CNC(=O)c1ccnc(F)c1)CC2)nc3)nc4

Received at FYIcenter.com on: 2023-02-02

Molecule ID: FYI-1002126 Edit

Molecule Structure InChIKey: OEYODNDISWRIOD-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc(COc3ccc(N2CCN(C(=O)CNC(=O)c1ccnc(F)c1)CC2)nc3)nc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002126
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
   23.0362    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 F   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  9  1  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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
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 17 14  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
 22 21  1  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
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 28 27  2  0  0  0  0
 29 27  1  0  0  0  0
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 31 30  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
 35 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002126-3D
FYIcenter.com

 60 63  0  0  0  0  0  0  0  0999 V2000
    1.4752   -0.5530   -2.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8662   -0.4533   -1.9393 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4092    0.7945   -2.0444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7380    1.9491   -2.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    3.1569   -2.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7808    3.1900   -2.1607 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5806    4.4652   -2.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7377    5.6134   -2.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2310    6.7637   -2.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3032    7.7149   -3.0432 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7432    8.8963   -3.6401 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1061    9.1298   -3.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5616   10.2679   -4.4428 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7904   10.9887   -5.4520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6591   11.2303   -6.6980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9256   11.8840   -6.3524 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4420   13.0136   -6.9595 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4764   13.5554   -6.5576 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6554   13.6684   -8.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7113   14.6597   -7.6056 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3605   14.5464   -7.8285 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489   13.6012   -8.4233 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4751   15.6110   -7.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8911   16.9323   -7.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9646   17.8540   -6.6958 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 38  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 35  2  0  0  0  0
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  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  2  0  0  0  0
  7  8  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  2  0  0  0  0
 10 11  2  0  0  0  0
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 35 60  1  0  0  0  0
M  END
$$$$

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2023-04-04, 2364👍, 0💬