Molecule FYI-1001187

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Molecule Summary:

ID: FYI-1001187
SMILES: O=C(Nc1ccc(CO)cc1)c3cc(n2cccc2)ccc3N4CCOCC4

Received at FYIcenter.com on: 2022-02-26

Molecule ID: FYI-1001187 Edit

Molecule Structure SMILES String: O=C(Nc1ccc(CO)cc1)c3cc(n2cccc2)ccc3N4CCOCC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1001187
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.5833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.5833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3584    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4216    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1215    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4910    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.8833    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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  7  1  0  0  0  0
 11 10  2  0  0  0  0
 11  4  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 15  1  0  0  0  0
 20 14  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 12  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 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001187-3D
FYIcenter.com

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.7106    0.8689    0.7672 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0737    0.0149   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5710   -0.0737   -1.3344 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5768    0.8050   -1.7934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8599    2.1585   -1.9690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1170    3.0110   -2.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3975    2.5256   -2.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4819    3.4566   -3.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031    3.0266   -4.5111 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6700    1.1627   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6772    0.2983   -2.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0460   -1.0587    0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7292   -2.3652   -0.0796 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5411   -3.4652    0.2053 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2165   -4.7538   -0.3157 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8679   -5.9446   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2669   -6.9647   -0.7529 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2082   -6.3971   -1.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1968   -5.0496   -1.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6630   -3.2617    1.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9507   -1.9785    1.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616   -0.8377    1.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5318    0.3674    1.7769 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1217    0.4495    3.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4148    1.5486    3.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4470    2.8162    3.2642 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7666    2.7022    1.9984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4663    1.6710    1.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5935   -0.9743   -1.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8477    2.5467   -1.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1287    4.0586   -2.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1036    4.4758   -3.3890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2944    3.4882   -2.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2392    2.8423   -5.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6672    0.7744   -2.7971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9161   -0.7486   -1.9677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7970   -2.5195   -0.6079 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7050   -5.9933    0.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5624   -8.0054   -0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5280   -6.9063   -2.1547 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5338   -4.2928   -1.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3457   -4.0632    1.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8512   -1.8736    2.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1865    0.6934    3.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0355   -0.4899    3.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9158    1.6763    4.9059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3717    1.2740    4.1417 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7809    3.6869    1.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7215    2.4462    2.1967 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4985    2.0043    0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0030    1.6279    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  2  0  0  0  0
  5  6  2  0  0  0  0
  5 30  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 19  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  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
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 2640👍, 0💬