Molecule FYI-1007534

A

Molecule Summary:

ID: FYI-1007534
Names:
InChIKey: PVUPMGBAXDXMAA-UHFFFAOYSA-N
SMILES: CC(=O)NCC5CCN(Cc4cc(CNc2ccc1[nH]cc(C(=O)O)c(=O)c1c2)cc(c3cc(Cl)cc(Cl)c3)c4)CC5

Received at FYIcenter.com on: 2024-02-28

Molecule ID: FYI-1007534 Edit

Molecule Structure InChIKey: PVUPMGBAXDXMAA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCC5CCN(Cc4cc(CNc2ccc1[nH]cc(C(=O)O)c(=O)c1c2)cc(c3cc(Cl)cc(Cl)c3)c4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1007534
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
   15.7617    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  2  0  0  0  0
  7  6  1  0  0  0  0
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 40 27  1  0  0  0  0
 41 24  2  0  0  0  0
 41  8  1  0  0  0  0
 42  7  2  0  0  0  0
 42  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007534-3D
FYIcenter.com

 74 78  0  0  0  0  0  0  0  0999 V2000
   11.3316   -2.3606   -5.6131 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6143   -1.9929   -4.3439 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4193   -2.2105   -4.1772 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4304   -1.3933   -3.4094 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9389   -0.9453   -2.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1779   -3.6029    0.7517 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9083   -5.1041    0.7601 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5995   -8.1133   -0.8778 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-03-07, 1008👍, 0💬