Molecule FYI-1002565

A

Molecule Summary:

ID: FYI-1002565
Names:
InChIKey: ISZPOZHEYDENME-LYHRCORUSA-N
SMILES: Cc5ccc([C@@H]4Nc2c(C(=O)Nc1ccccc1)cccc2[C@H]3C=CC[C@H]34)s5

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002565 Edit

Molecule Structure InChIKey: ISZPOZHEYDENME-LYHRCORUSA-N

Molecule Structure SMILES String: Cc5ccc([C@@H]4Nc2c(C(=O)Nc1ccccc1)cccc2[C@H]3C=CC[C@H]34)s5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002565
FYIcenter.com

 28 32  0  0  1  0  0  0  0  0999 V2000
    6.9642    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6197    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.2870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3545    2.4641    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.6870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    4.9544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8539    6.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0310    7.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.5870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.8870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    5.3870    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    7.4870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.7870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    5.3870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  6  2  1  0  0  0  0
  7  5  1  6  0  0  0
  8  7  1  0  0  0  0
  8  9  1  1  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  1  0  0  0
 12  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
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 17 16  1  0  0  0  0
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 18 13  1  0  0  0  0
 19 18  1  0  0  0  0
 19  7  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002565-3D
FYIcenter.com

 50 54  0     1  0  0  0  0  0999 V2000
   -0.5577   -3.5653   -0.8949 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384    3.0077   -0.5827 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6248    0.1784   -0.7318 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0442    0.8687    0.3598 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9871   -0.5437   -0.9841 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3945    0.4018    0.1702 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5050   -0.9395   -1.0310 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.4537    0.1721   -2.2695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3017    1.3585    0.5977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5769    1.1040   -0.4445 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9866    1.2092    0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6034    0.9817   -1.7753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1720   -2.1442   -0.1633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5953    2.3905    1.5076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0116    2.1363    0.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.3199    3.1698    1.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -4.3638    0.6164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8799   -3.5634    1.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3685    2.0563    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0481   -5.7535    0.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683    0.5002    0.0170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1685    1.3765   -0.7159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8718   -0.7391    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4724    1.0137   -1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1756   -1.1020    0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9758   -0.2257   -0.6586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5953   -1.4596   -0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0547   -6.1292    1.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0731   -5.8147    0.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8509    2.3512   -1.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2582   -1.4317    0.9828 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0966    1.6951   -1.6247 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5676   -2.0671    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9909   -0.5083   -0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 19  1  0  0  0  0
  2 21  2  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  3 35  1  0  0  0  0
  4 21  1  0  0  0  0
  4 23  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 29  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 30  1  0  0  0  0
  7 13  1  0  0  0  0
  7 31  1  0  0  0  0
  8 12  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  2  0  0  0  0
  9 14  1  0  0  0  0
 10 12  2  0  0  0  0
 10 34  1  0  0  0  0
 11 15  1  0  0  0  0
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 14 37  1  0  0  0  0
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 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 22  1  0  0  0  0
 20 41  1  0  0  0  0
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 23 24  2  0  0  0  0
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 26 28  2  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 2200👍, 0💬