Molecule FYI-1013600

A

Molecule Summary:

ID: FYI-1013600
Names:
InChIKey: MPMAEUSZVYUQGL-KRWDZBQOSA-N
SMILES: CNc3cc(c2cc(NC(=O)[C@H](Cc1ccc(F)cc1)NCC(=O)O)n(C)n2)ccn3

Received at FYIcenter.com on: 2025-01-16

Molecule ID: FYI-1013600 Edit

Molecule Structure InChIKey: MPMAEUSZVYUQGL-KRWDZBQOSA-N

Molecule Structure SMILES String: CNc3cc(c2cc(NC(=O)[C@H](Cc1ccc(F)cc1)NCC(=O)O)n(C)n2)ccn3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013600
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
   10.0652   12.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4958   11.4065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3187   10.2739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7493    8.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    7.8624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    2.9612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    5.3710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9646    8.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5340    9.2877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7111   10.4203    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  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
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 20 14  1  0  0  0  0
 12 21  1  6  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 26  8  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  1  0  0  0  0
 28  6  2  0  0  0  0
 29  5  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013600-3D
FYIcenter.com

 54 56  0     1  0  0  0  0  0999 V2000
   -2.5222   -5.3723   -0.1876 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1089    1.6335   -1.1256 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6039    5.4869    1.4334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2954    4.9442   -0.6617 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6246    2.3671   -0.4123 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1216    0.0017    0.5605 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7129   -1.2730    1.5585 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0478   -1.4259    1.5305 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5331   -0.0913   -0.3605 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1463    2.2033   -0.8729 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2138    0.9879   -0.1393 C   0  0  1  0  0  0  0  0  0  0  0  0
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    0.2486   -0.3239    0.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3863    3.2119    0.7464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3570    0.1793    0.0595 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4356   -0.5361    0.6129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2912   -2.2000    0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4340   -1.9860   -1.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8282   -0.3852    0.2809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693   -2.0903    2.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9497   -3.5330    0.2436 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6911   -1.4709    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6643    0.9412   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 25  1  0  0  0  0
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  3 51  1  0  0  0  0
  4 26  2  0  0  0  0
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  5 16  1  0  0  0  0
  5 35  1  0  0  0  0
  6 13  1  0  0  0  0
  6 15  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
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  7 22  1  0  0  0  0
  8 18  2  0  0  0  0
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 10 50  1  0  0  0  0
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 19 40  1  0  0  0  0
 20 24  2  0  0  0  0
 20 41  1  0  0  0  0
 21 27  2  0  0  0  0
 21 28  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
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 23 25  2  0  0  0  0
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 27 29  1  0  0  0  0
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 28 30  2  0  0  0  0
 28 48  1  0  0  0  0
 30 49  1  0  0  0  0
 31 52  1  0  0  0  0
 31 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1213👍, 0💬