Molecule FYI-1003226

A

Molecule Summary:

ID: FYI-1003226
Names:
InChIKey: LNCOEGVEEQDKGX-UHFFFAOYSA-N
SMILES: Oc5ccc(Cc4nc3c(Cc1ccccc1)nc(c2ccc(O)cc2)cn3c4O)cc5

Received at FYIcenter.com on: 2023-05-25

Molecule ID: FYI-1003226 Edit

Molecule Structure InChIKey: LNCOEGVEEQDKGX-UHFFFAOYSA-N

Molecule Structure SMILES String: Oc5ccc(Cc4nc3c(Cc1ccccc1)nc(c2ccc(O)cc2)cn3c4O)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1003226
FYIcenter.com

 32 36  0  0  0  0  0  0  0  0999 V2000
   14.0456    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0456    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8332    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6208    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6208    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8332    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4083    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1959    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9835    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7710    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7710    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9835    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6924    9.7693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7306    8.6367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1000    9.9158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   11.1282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9835    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7710    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7710    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9835    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1959    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1959    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9835    0.0000    0.0000 O   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  2  0  0  0  0
  5  4  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 13  8  1  0  0  0  0
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 18 15  1  0  0  0  0
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 23 22  1  0  0  0  0
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 26 10  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003226-3D
FYIcenter.com

 53 57  0     0  0  0  0  0  0999 V2000
    0.0171    3.7189   -0.4652 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8865   -0.3782   -1.6218 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1753   -0.0326   -1.1015 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7078    1.5914    0.2905 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1662    0.7633    1.1740 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1448   -0.7045    0.9052 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013    0.5375    0.9234 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8794   -0.6365    1.2235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3863    2.0267    0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2409    2.5599    0.1218 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2150   -1.7942    1.9109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7205    2.6409    0.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0470    1.5187   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7299    0.3926    0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6303   -2.5729    0.9484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8392    1.8309    0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1615    0.2798   -0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6770    1.0474    0.9219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0255    1.8718   -1.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0001   -2.7085    1.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0467   -3.1616   -0.1733 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0822    1.1963    0.4172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898   -0.7421   -0.9383 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 10  1  0  0  0  0
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 28 32  2  0  0  0  0
 28 49  1  0  0  0  0
 29 32  1  0  0  0  0
 29 50  1  0  0  0  0
 31 51  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1875👍, 0💬