Molecule FYI-1010214

A

Molecule Summary:

ID: FYI-1010214
Names:
InChIKey: AMHWWCDGUSLLQY-UHFFFAOYSA-N
SMILES: O=C(Nc2nc1ccccc1s2)c6ccc(N5CCN(c3ccc(Cl)cc3)C4(CC4)C5)cc6

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010214 Edit

Molecule Structure InChIKey: AMHWWCDGUSLLQY-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2nc1ccccc1s2)c6ccc(N5CCN(c3ccc(Cl)cc3)C4(CC4)C5)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1010214
FYIcenter.com

 33 38  0  0  0  0  0  0  0  0999 V2000
   20.6762    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6762    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4667    2.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2574    2.0947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2574    0.6983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9295    2.5262    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1086    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9295    0.2668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7122    1.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0114    2.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7122    3.8245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6095    2.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9085    3.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5066    3.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8057    2.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5066    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9085    1.3964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.6000    2.6105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9009    3.8246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0999    1.3983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4999    1.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.6109    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  3  4  1  0  0  0  0
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  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
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 13 14  2  0  0  0  0
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 20 21  1  0  0  0  0
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 27 28  2  0  0  0  0
 30 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010214-3D
FYIcenter.com

 56 61  0  0  0  0  0  0  0  0999 V2000
    1.1725   -0.2531    0.3835 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2989    0.1147    0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8560    0.1139   -1.1868 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2003   -0.2940   -2.3295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8438   -0.6202   -3.4266 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9351   -1.0826   -4.3733 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2439   -1.6171   -5.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144   -2.0730   -6.4764 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4485   -1.4459   -4.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5932   -1.0102   -3.9954 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4993   -0.3404   -2.4208 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.1937    0.5388    1.1791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0778   -0.1272    2.4006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370    0.2790    3.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7202    1.3670    3.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4639    1.7589    4.5309 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9222    0.7959    5.5463 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3154    1.0929    6.9307 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6266    2.4786    7.3240 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0968    2.7546    8.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9638    3.8290    8.8605 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4414    4.1085   10.1478 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6569    3.6317   12.7960 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 23 24  1  0  0  0  0
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 24 25  1  0  0  0  0
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M  END
$$$$

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