Molecule FYI-1004953

A

Molecule Summary:

ID: FYI-1004953
Names:
InChIKey: QQWUGDVOUVUTOY-UHFFFAOYSA-N
SMILES: COc3cc(N2CCC(N1CCN(C)CC1)CC2)ccc3Nc5ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n5

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

Molecule ID: FYI-1004953 Edit

Molecule Structure InChIKey: QQWUGDVOUVUTOY-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3cc(N2CCC(N1CCN(C)CC1)CC2)ccc3Nc5ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004953
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
    0.1875    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.5876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.0995    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3119    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  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
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 39 34  1  0  0  0  0
 40 37  1  0  0  0  0
 41 23  1  0  0  0  0
 42 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004953-3D
FYIcenter.com

 82 86  0     0  0  0  0  0  0999 V2000
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M  END
$$$$

✍: FYIcenter.com

2023-10-13, 1940👍, 0💬