Molecule FYI-1016363

A

Molecule Summary:

ID: FYI-1016363
Names:
InChIKey: BDFJIEMVNDLSTB-UHFFFAOYSA-N
SMILES: CS(=O)(=O)c4ccc(CN3CCN(c1cn[nH]c1c2cc(Cl)c(O)cc2O)CC3)cc4

Received at FYIcenter.com on: 2025-12-09

Molecule ID: FYI-1016363 Edit

Molecule Structure InChIKey: BDFJIEMVNDLSTB-UHFFFAOYSA-N

Molecule Structure SMILES String: CS(=O)(=O)c4ccc(CN3CCN(c1cn[nH]c1c2cc(Cl)c(O)cc2O)CC3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1016363
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   13.1276    4.4395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.1395    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.6152    6.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2152    3.9271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    7.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    7.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    7.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    5.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    7.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    7.2395    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    7.9395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    7.2395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0694    3.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    2.8104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    3.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8187    1.4410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4873    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2310    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8132    2.7389    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
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 22 18  2  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
 29 28  1  0  0  0  0
 30 26  1  0  0  0  0
 31 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016363-3D
FYIcenter.com

 54 57  0     0  0  0  0  0  0999 V2000
    6.9589   -1.7378    2.0579 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.8060    0.0796    0.1323 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.2242   -0.1204   -2.1838 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4467   -0.2513   -1.1331 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3638   -0.4253    1.3788 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2344   -3.3236   -0.3910 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1063   -0.4905    0.2444 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373    1.1319    0.0569 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3696    2.8115    0.0580 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5866    3.8992    0.1586 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1952   -1.0135    0.6781 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0039   -1.5862   -0.1194 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3495    1.9809    0.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4498   -1.1710   -0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6776    1.6373    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3537    3.3855    0.1679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3329    0.3574   -0.1049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0880   -1.0514    1.1783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1512   -0.9064   -1.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1291   -0.4025    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 31  1  0  0  0  0
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  6 30  1  0  0  0  0
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 29 30  2  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

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