Molecule FYI-1004952

A

Molecule Summary:

ID: FYI-1004952
Names:
InChIKey: OBJNFLYHUXWUPF-IZZDOVSWSA-N
SMILES: CN(C)C/C=C/C(=O)Nc5ccc(C(=O)Nc4cccc(Nc3ncc(Cl)c(c1c[nH]c2ccccc12)n3)c4)cc5

Received at FYIcenter.com on: 2023-10-04

Molecule ID: FYI-1004952 Edit

Molecule Structure InChIKey: OBJNFLYHUXWUPF-IZZDOVSWSA-N

Molecule Structure SMILES String: CN(C)C/C=C/C(=O)Nc5ccc(C(=O)Nc4cccc(Nc3ncc(Cl)c(c1c[nH]c2ccccc12)n3)c4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004952
FYIcenter.com

 41 45  0  0  0  0  0  0  0  0999 V2000
   12.1244   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   16.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2779    3.2710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106    5.8148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7043    6.5642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    5.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 Cl  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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  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  2  0  0  0  0
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 19 18  1  0  0  0  0
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 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
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 28 27  1  0  0  0  0
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 31 26  1  0  0  0  0
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 33 32  2  0  0  0  0
 34 33  1  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
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
 40 32  1  0  0  0  0
 41 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004952-3D
FYIcenter.com

 69 73  0     0  0  0  0  0  0999 V2000
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    5.1444   -1.3505    0.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4901    2.6919   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.8901    1.1131   -0.0351 C   0  0  0  0  0  0  0  0  0  0  0  0
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 41 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-13, 2229👍, 0💬