Molecule Editor

Molecule ID: FYI-1017606 Edit

Molecule Structure InChIKey: LEJGFVIVRXRSDZ-SSEXGKCCSA-N

Molecule Structure SMILES String: Cc4ccc3C(=O)OCc1ccc(cc1)[C@@H](CN)C(=O)Nc6ccc5cncc(c2cccc(c2)c3c4)c5c6

Download SDF Download SVG Structure in 2D SDF:

FYI-1017606
FYIcenter.com

 39 44  0  0  1  0  0  0  0  0999 V2000
   11.8531   10.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8654   10.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777   10.8354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8898    9.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8777    8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8654    9.1245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9021    8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9143    9.1245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9021    7.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9143    6.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9143    5.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9266    5.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.9143    3.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9877    2.2811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9633    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9511    0.5703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8897   10.2651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9018   10.8353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9017   12.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6891   12.9351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4768   12.2350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4770   10.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6895   10.1351    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
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 19 18  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
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 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
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 31 26  1  0  0  0  0
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 32 23  1  0  0  0  0
  4 33  2  0  0  0  0
 33  3  1  0  0  0  0
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 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 38 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017606-3D
FYIcenter.com

 66 71  0  0  1  0  0  0  0  0999 V2000
    3.0631    0.7281    0.2874 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0600    1.6729    0.4825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3913    1.6957   -0.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7026    2.0991   -0.4778 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5812    2.4578    0.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2862    0.5178   -0.3927 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2230   -0.7079   -0.6364 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7180    1.0078   -1.5371 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0591    0.9166   -1.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132    2.3396   -1.3784 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5545    3.4891   -1.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8336    4.8437   -1.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1800    5.1186   -1.6406 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0612    4.0018   -1.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.6737   -1.5840 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6668    6.5791   -1.7779 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3671    7.6704   -0.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0430    7.5151   -0.0459 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1296    6.5649   -2.2738 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8442    5.5634   -2.3373 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7039    7.7267   -2.6663 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0101    7.6865   -3.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5412    6.7657   -3.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6817    7.0840   -4.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6251    7.8773   -4.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.7705    8.7480   -3.7813 N   0  0  0  0  0  0  0  0  0  0  0  0
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   14.9032    8.5328   -0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5443   10.1178   -0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1167    9.6233    0.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6993    8.0269    0.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0973   -0.0700   -0.5932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0704    2.2206   -0.4308 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  2  0  0  0  0
  3  4  2  0  0  0  0
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  4  5  1  0  0  0  0
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M  END
$$$$