Molecule FYI-1002031

A

Molecule Summary:

ID: FYI-1002031
Names:
InChIKey: QARLNMDDSQMINK-BVRKHOPBSA-N
SMILES: Cc4c(Nc2nccc3cc(CN1CC[C@@H](O)C1)cnc23)cccc4c8cccc(c7nc6cc(CN5CC[C@@H](C(=O)O)C5)cc(C#N)c6o7)c8C

Received at FYIcenter.com on: 2023-01-19

Molecule ID: FYI-1002031 Edit

Molecule Structure InChIKey: QARLNMDDSQMINK-BVRKHOPBSA-N

Molecule Structure SMILES String: Cc4c(Nc2nccc3cc(CN1CC[C@@H](O)C1)cnc23)cccc4c8cccc(c7nc6cc(CN5CC[C@@H](C(=O)O)C5)cc(C#N)c6o7)c8C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002031
FYIcenter.com

 52 59  0  0  1  0  0  0  0  0999 V2000
   11.7056   18.2727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4932   17.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2808   16.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2808   15.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0683   14.7727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3594   13.4033    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7518   13.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4518   12.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7518   10.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4518    9.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7518    8.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3518    8.4072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518    7.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2518    7.1948    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5518    5.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1518    5.9824    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4518    4.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5518    3.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2518    4.7699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518    4.7699    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3518    3.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3518    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7518    1.1326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9061    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9061    1.8326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5746    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0388    2.6555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2518    2.3450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3518    5.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7518    5.9824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4518    7.1948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6518    9.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8518    9.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5518   10.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8518   12.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3518   10.8321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3212   14.5359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8559   15.4727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8559   16.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6434   17.5727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310   16.8727    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1521   17.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153   16.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9153   15.1893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2847   15.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229   16.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535   17.8271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0683   17.5727    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  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  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
 29 28  1  0  0  0  0
 29 25  1  0  0  0  0
 28 30  1  6  0  0  0
 31 23  2  0  0  0  0
 31 19  1  0  0  0  0
 32 13  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 11  1  0  0  0  0
 35 12  1  0  0  0  0
 36 10  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 38  8  1  0  0  0  0
 39  9  1  0  0  0  0
 40  7  1  0  0  0  0
 40  4  1  0  0  0  0
 41  5  2  0  0  0  0
 42 41  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 48 44  1  0  0  0  0
 46 49  1  1  0  0  0
 50 49  1  0  0  0  0
 51 49  2  0  0  0  0
 52 42  2  0  0  0  0
 52  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002031-3D
FYIcenter.com

M  END
$$$$

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2023-01-20, 2871👍, 0💬