Molecule FYI-1016242

A

Molecule Summary:

ID: FYI-1016242
Names:
InChIKey: NESGYXJYASZUAO-UHFFFAOYSA-N
SMILES: Cn5cc(c1ccc2c(c1)CCN2C(=O)Cc3ccc(C(C)(C)C)cc3)c4c(N)ncnc45

Received at FYIcenter.com on: 2025-12-01

Molecule ID: FYI-1016242 Edit

Molecule Structure InChIKey: NESGYXJYASZUAO-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn5cc(c1ccc2c(c1)CCN2C(=O)Cc3ccc(C(C)(C)C)cc3)c4c(N)ncnc45

Download SDF Download SVG Structure in 2D SDF:

FYI-1016242
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
   12.4751    7.7318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4751    9.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2627    9.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2627   11.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9313   11.6644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1084   10.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9313    9.3992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4986    8.0676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4355    7.0273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0029    5.6958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    5.4047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6966    6.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1292    7.7766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.0124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.9124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    3.4430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4986   12.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4751   11.9318    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.6876   11.2318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6876    9.8318    0.0000 N   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
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 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 26 23  1  0  0  0  0
 27 15  2  0  0  0  0
 28 14  1  0  0  0  0
 29 28  1  0  0  0  0
 29 10  1  0  0  0  0
 30  5  1  0  0  0  0
 31  4  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 33  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016242-3D
FYIcenter.com

 62 66  0  0  0  0  0  0  0  0999 V2000
    2.9436   -2.4887   -0.7369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2874   -1.1468   -0.3305 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4779   -0.5253   -0.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503    0.7273   -0.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6118    1.6083   -0.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8484    2.3987    1.1332 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8852    3.3220    1.1728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7562    3.3851    0.1061 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6011    2.5436   -0.9912 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5187    1.6699   -1.0742 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7260    2.7141   -1.9605 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5447    3.8522   -1.3134 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8778    4.2198   -0.0472 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2235    5.2088    0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5699    5.4805    1.8723 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4761    6.0178    0.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6883    5.5034    1.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8731    5.2857    0.6438 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0202    4.8418    1.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0268    4.6050    2.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2809    4.1132    3.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4980    3.9015    2.5094 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6974    5.1408    4.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9938    2.7611    4.1272 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8264    4.8412    3.3855 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6775    5.2887    2.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1558    0.8740    0.6185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4548    1.8514    1.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2286    1.5593    1.8349 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2562   -0.6497    0.8609 N   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
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 10 40  1  0  0  0  0
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 30 31  1  0  0  0  0
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 31 62  1  0  0  0  0
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M  END
$$$$

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2025-12-09, 361👍, 0💬