Molecule FYI-1012328

A

Molecule Summary:

ID: FYI-1012328
Names:
InChIKey: HEYBMHIVSSKNFS-UHFFFAOYSA-N
SMILES: C=CC(=O)N4CCC(Oc3cc2c(Nc1ccc(Cl)c(Cl)c1F)c(C#N)cnc2cc3OC)CC4

Received at FYIcenter.com on: 2024-08-27

Molecule ID: FYI-1012328 Edit

Molecule Structure InChIKey: HEYBMHIVSSKNFS-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)N4CCC(Oc3cc2c(Nc1ccc(Cl)c(Cl)c1F)c(C#N)cnc2cc3OC)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1012328
FYIcenter.com

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
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 34  4  1  0  0  0  0
 35  3  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012328-3D
FYIcenter.com

 56 59  0     0  0  0  0  0  0999 V2000
    1.2451    5.4917    1.2717 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9454    5.5492   -1.9448 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0971    2.8934    2.2716 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6628    0.4176   -0.4562 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6442    0.6017    0.8277 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6670   -3.2031   -0.6309 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0751   -3.6719   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9954   -1.6735    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3887   -2.9351   -0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
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  9 22  1  0  0  0  0
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 10 32  3  0  0  0  0
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M  END
$$$$

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2024-09-28, 1255👍, 0💬