Molecule FYI-1014385

A

Molecule Summary:

ID: FYI-1014385
Names:
InChIKey: GJCZYPVNSMSOLT-UHFFFAOYSA-N
SMILES: CN5CCN(Cc4ccc3nc2c(=O)c1cc(F)ccc1n2c(=O)c3c4)CC5

Received at FYIcenter.com on: 2025-04-10

Molecule ID: FYI-1014385 Edit

Molecule Structure InChIKey: GJCZYPVNSMSOLT-UHFFFAOYSA-N

Molecule Structure SMILES String: CN5CCN(Cc4ccc3nc2c(=O)c1cc(F)ccc1n2c(=O)c3c4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1014385
FYIcenter.com

 28 32  0  0  0  0  0  0  0  0999 V2000
   12.1093    7.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8969    8.0063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8969    9.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6844   10.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6844    7.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    8.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4720    9.4063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2596   10.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472    9.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348   10.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    9.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6223    8.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9389    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1541    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5846    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1923    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    5.2606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8348    5.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472    5.2063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8348    7.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0472    8.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  4  3  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
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  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
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 22 16  1  0  0  0  0
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 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 12  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 28  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014385-3D
FYIcenter.com

 47 51  0     0  0  0  0  0  0999 V2000
   -7.4427   -1.7841   -0.3375 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121   -1.6242    1.2282 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1786    2.4446   -1.3326 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6654    0.1885    0.3872 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7253   -1.4586   -0.7970 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2540   -0.0137    0.2016 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3698   -1.1596   -0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3295   -1.5441   -1.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7504    0.5542    1.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022    0.9432    0.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6397   -1.8227   -1.8776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0713    0.4252    0.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335    0.0546    1.0723 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2142    2.1952    0.3773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1308    1.6898    0.0044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3348    1.2498   -0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0742   -0.5234    0.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5184   -0.6373    0.1523 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9551    2.5661   -0.0981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4556    0.2125   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.1700   -1.3924   -0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.5742   -3.2421    0.7548 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 20  2  0  0  0  0
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  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
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  5 10  1  0  0  0  0
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  5 14  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

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2025-04-26, 623👍, 0💬