Molecule FYI-1015652

A

Molecule Summary:

ID: FYI-1015652
Names:
InChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-N
SMILES: C=C[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34

Received at FYIcenter.com on: 2025-09-22

Molecule ID: FYI-1015652 Edit

Molecule Structure InChIKey: LOUPRKONTZGTKE-WZBLMQSHSA-N

Molecule Structure SMILES String: C=C[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OC)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1015652
FYIcenter.com

 24 27  0  0  1  0  0  0  0  0999 V2000
    5.8760    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2477    5.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3390    4.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1786    2.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9587    2.3908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7983    1.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.2779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0777    0.7969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3573    0.5192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5175    1.8351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4581    2.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2381    2.1130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375    2.3543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8979    3.6703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5590    4.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3725    6.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.3007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0596    4.5038    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4238    4.9221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5796    6.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7277    6.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
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  3 16  1  6  0  0  0
  2 17  1  1  0  0  0
 18 17  1  1  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  1  0  0  0
 21  2  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 23 24  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015652-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
    0.4877   -1.0294    2.6459 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6521    2.6471    0.2905 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648    0.1243   -0.7436 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6109   -2.6686   -0.8151 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4829    1.3043    0.5548 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6685   -0.4430    0.6270 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7674    0.2701    1.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0195    0.6337   -0.7324 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4069    2.3155    0.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8601   -0.1147   -1.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3272    1.5844   -0.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3242   -0.4413    1.3593 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1849   -0.2706   -0.4638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7329   -1.1951    0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4055   -0.0921   -0.9801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9176   -0.5854    0.1786 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4803   -2.5246    0.3113 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8455   -1.3726   -0.5352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1951    0.7646    0.4527 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4474   -3.2139   -0.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0300   -0.7717   -0.9525 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8942    3.1686   -0.1807 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 18  2  0  0  0  0
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  7 28  1  0  0  0  0
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  8 29  1  0  0  0  0
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  9 30  1  0  0  0  0
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 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
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 14 16  2  0  0  0  0
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 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 18  1  0  0  0  0
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 17 20  2  0  0  0  0
 17 41  1  0  0  0  0
 18 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 24 48  1  0  0  0  0
M  END
$$$$

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2025-09-24, 684👍, 0💬