Molecule FYI-1016757

A

Molecule Summary:

ID: FYI-1016757
Names:
InChIKey: GZIJEUFMFVUTCJ-OXJNMPFZSA-N
SMILES: N#Cc5ccc([C@@H](Sc1nnc3c(n1)[nH]c2ccccc23)C(=O)NC[C@@H]4CCCO4)cc5

Received at FYIcenter.com on: 2026-03-06

Molecule ID: FYI-1016757 Edit

Molecule Structure InChIKey: GZIJEUFMFVUTCJ-OXJNMPFZSA-N

Molecule Structure SMILES String: N#Cc5ccc([C@@H](Sc1nnc3c(n1)[nH]c2ccccc23)C(=O)NC[C@@H]4CCCO4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016757
FYIcenter.com

 32 36  0  0  1  0  0  0  0  0999 V2000
    9.3178    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5302    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7426    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9552    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1015    5.6077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4708    5.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1708    6.5290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2341    7.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    7.7000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    4.6633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7846    3.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.5307    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    2.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    4.8096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  6  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  1  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
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 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 16  1  0  0  0  0
 25 10  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
 29 28  1  0  0  0  0
 30 29  3  0  0  0  0
 31 28  1  0  0  0  0
 32 31  2  0  0  0  0
 32 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016757-3D
FYIcenter.com

 52 56  0  0  1  0  0  0  0  0999 V2000
   -2.9985   -0.7053   -0.9591 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8739   -0.5326   -0.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4845   -0.3213   -0.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3297    0.3774   -1.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6958    0.5383   -1.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2704    0.0020    0.1021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7875    0.0381    0.3007 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2889    0.8657    1.8671 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.6970    2.5329    1.6496 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6943    3.1024    0.4152 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3373    4.3928    0.2384 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9973    5.0809    1.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0350    4.4391    2.5854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3849    3.1615    2.8040 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6522    5.3325    3.5436 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3422    6.5469    2.9695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8838    7.7310    3.5624 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6562    8.8293    2.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8847    8.7461    1.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3391    7.5530    0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5694    6.4235    1.5911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3577   -1.4209    0.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8339   -2.2986   -0.4469 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4982   -1.6986    0.9709 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1304   -3.0144    0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8984   -3.3393    2.2308 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0480   -3.3373    3.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0562   -2.9864    4.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9842   -2.0349    3.8332 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9501   -2.3769    2.4414 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4333   -0.6722    1.0095 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0700   -0.8364    0.7426 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3836   -4.3178    2.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0120   -2.0938    4.2034 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6406   -0.9996    3.9229 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8462   -1.1212    1.9114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5456   -1.3952    1.4452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
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  3 32  2  0  0  0  0
  4  5  2  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  1  0  0  0  0
  6 31  2  0  0  0  0
  7  8  1  0  0  0  0
  7 22  1  0  0  0  0
  7 35  1  6  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
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 20 40  1  0  0  0  0
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 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 25 43  1  0  0  0  0
 26 27  1  0  0  0  0
 26 30  1  0  0  0  0
 26 44  1  6  0  0  0
 27 28  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 28 29  1  0  0  0  0
 28 47  1  0  0  0  0
 28 48  1  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 29 50  1  0  0  0  0
 31 32  1  0  0  0  0
 31 51  1  0  0  0  0
 32 52  1  0  0  0  0
M  END
$$$$

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2026-03-22, 540👍, 0💬