Molecule FYI-1005559

A

Molecule Summary:

ID: FYI-1005559
Names:
InChIKey: JLUHJVZTMGKWGW-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(CCO)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005559 Edit

Molecule Structure InChIKey: JLUHJVZTMGKWGW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(NC(c1ccccc1)c2ccccc2)c(CCO)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005559
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    9.6995    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.9000    0.0000 C   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
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 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24  7  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 28 27  2  0  0  0  0
 28  6  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005559-3D
FYIcenter.com

 52 55  0  0  0  0  0  0  0  0999 V2000
   -0.3293   -2.9862    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5562   -1.5037   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7924   -0.9847   -0.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0642    0.4590   -0.0874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2131    0.8829   -0.0382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9696    1.2967   -0.2206 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3444    0.7854   -0.1960 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3778    1.7294   -0.2544 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7935    2.2369   -0.1801 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7255    3.5426   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5613    5.3977    0.9553 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8944    6.5228    1.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2819    2.2383   -4.4819 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7936    3.3599   -5.1219 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5836   -0.5799   -0.0893 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  2  0  0  0  0
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  3 33  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 29  2  0  0  0  0
  8  9  2  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
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 10 35  1  0  0  0  0
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 26 50  1  0  0  0  0
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 28 29  1  0  0  0  0
 28 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 562👍, 0💬