Molecule FYI-1012996

A

Molecule Summary:

ID: FYI-1012996
Names:
InChIKey: UAUIUKWPKRJZJV-QPLHLKROSA-N
SMILES: Cc8cnc(C(=O)N[C@H]7CCCCC/C=C\\[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]6C[C@@H](Oc4nc3ccccc3c5ccccc45)CN6C7=O)cn8

Received at FYIcenter.com on: 2024-11-06

Molecule ID: FYI-1012996 Edit

Molecule Structure InChIKey: UAUIUKWPKRJZJV-QPLHLKROSA-N

Molecule Structure SMILES String: Cc8cnc(C(=O)N[C@H]7CCCCC/C=C\[C@@H]1C[C@@]1(C(=O)NS(=O)(=O)C2CC2)NC(=O)[C@@H]6C[C@@H](Oc4nc3ccccc3c5ccccc45)CN6C7=O)cn8

Download SDF Download SVG Structure in 2D SDF:

FYI-1012996
FYIcenter.com

 55 62  0  0  1  0  0  0  0  0999 V2000
   10.2879    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4342    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3016    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4480    3.6076    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7269    4.1770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8595    3.3541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7132    1.9618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8733    5.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1522    6.1388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8869    7.7846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2793    7.9309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5762   12.1241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5532   10.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2622    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4746    8.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5555    8.2173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8555    7.0048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8369    6.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8232    4.7402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3979    2.7784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442    4.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4116    4.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1326    4.4243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    6.6395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4253    7.2090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5579    6.3861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3430   14.7487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3430   16.1487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1306   14.0487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9181   14.7487    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6181   15.9611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181   15.9611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057   14.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3057   14.0487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0057   12.8363    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 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  1  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 25 29  1  1  0  0  0
 30 29  1  0  0  0  0
 30 11  1  0  0  0  0
 31 30  2  0  0  0  0
 27 32  1  6  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
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 39 38  1  0  0  0  0
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 46 33  1  0  0  0  0
 21 47  1  1  0  0  0
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 51 50  2  0  0  0  0
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 53 50  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  1  0  0  0  0
 55 53  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2024-11-23, 476👍, 0💬