Molecule FYI-1000211

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Molecule Summary:

ID: FYI-1000211
SMILES: COC1=C(Cl)C=C(Cl)C(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C1

Received at FYIcenter.com on: 2020-12-22

Molecule ID: FYI-1000211 Edit

Molecule Structure SMILES String: COC1=C(Cl)C=C(Cl)C(NC2=C(C=NC3=CC(OCCCN4CCN(C)CC4)=C(OC)C=C23)C#N)=C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000211
FYIcenter.com

 36 39  0  0  0  0  0  0  0  0999 V2000
   15.7618    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    7.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.5492    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 C   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  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
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 35 34  3  0  0  0  0
 36  9  2  0  0  0  0
 36  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000211-3D
FYIcenter.com

 65 68  0  0  0  0  0  0  0  0999 V2000
    2.3001   -0.6409   -0.0654 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6148    0.3179   -0.8658 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3909    1.0743   -1.7062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8417    2.2505   -2.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2385    2.7529   -1.8249 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.5914    3.0656   -3.0827 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8873    2.6888   -3.4435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7808    3.7213   -4.5038 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4510    1.4935   -2.9663 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7018    1.0254   -3.4327 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1817   -0.3045   -3.5657 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9173   -1.9572   -3.2422 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2254   -2.3121   -3.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.7905   -3.0219   -3.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2401   -3.2038   -3.9967 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4052   -4.4889   -4.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5183   -4.5652   -6.0078 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7123   -3.4663   -6.9689 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2021-08-01, 3093👍, 0💬