Molecule FYI-1007137

A

Molecule Summary:

ID: FYI-1007137
Names:
InChIKey: AYDREGLFLVEKHL-UHFFFAOYSA-N
SMILES: COc3ccc(NC(=O)c2cccc(OCc1ccccc1)c2)c(OC)c3

Received at FYIcenter.com on: 2024-02-02

Molecule ID: FYI-1007137 Edit

Molecule Structure InChIKey: AYDREGLFLVEKHL-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(NC(=O)c2cccc(OCc1ccccc1)c2)c(OC)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007137
FYIcenter.com

 48 50  0  0  0  0  0  0  0  0999 V2000
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   16.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    4.2000    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
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    6.5746   18.0125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1249   13.8124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
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  3  4  1  0  0  0  0
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 16 25  2  0  0  0  0
 17 18  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  2  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  2  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  2  0  0  0  0
 23 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
 26 27  2  0  0  0  0
 26 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007137-3D
FYIcenter.com

 48 50  0     0  0  0  0  0  0999 V2000
   -3.6368   -0.0119   -0.1324 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4396    2.2275    0.5002 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5624   -1.3638    0.2720 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1740   -1.4722   -0.7351 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3484    0.4783   -0.1679 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402    0.5042   -0.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6835    0.0192   -0.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4472    0.6026   -0.3765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2596   -0.1259   -0.3110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6937    0.9070    0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8124    0.7924   -0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1982   -0.2552   -0.4906 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9462   -1.3222   -0.2776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0086    1.8627   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0036    0.4405    0.3874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2848   -0.9075    0.1640 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1964    2.5911   -0.9403 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2562   -1.7889   -0.1685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6734   -0.7302   -0.9001 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2110   -2.0681   -0.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  8  1  0  0  0  0
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  2 10  1  0  0  0  0
  2 26  1  0  0  0  0
  3 18  1  0  0  0  0
  3 27  1  0  0  0  0
  4 12  2  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  5 31  1  0  0  0  0
  6  9  2  0  0  0  0
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  6 15  1  0  0  0  0
  7 10  2  0  0  0  0
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  9 28  1  0  0  0  0
 10 17  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 13 21  2  0  0  0  0
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 14 20  2  0  0  0  0
 14 32  1  0  0  0  0
 15 19  2  0  0  0  0
 15 33  1  0  0  0  0
 16 19  1  0  0  0  0
 16 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 23  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 25  2  0  0  0  0
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 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$

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2024-02-11, 241👍, 0💬