Molecule FYI-1003611

A

Molecule Summary:

ID: FYI-1003611
Names:
InChIKey: LDRZWGWBOYORGD-UHFFFAOYSA-N
SMILES: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3nncs3)cc4C#N

Received at FYIcenter.com on: 2023-07-12

Molecule ID: FYI-1003611 Edit

Molecule Structure InChIKey: LDRZWGWBOYORGD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1nccc1c2cc(Cl)ccc2Oc4ccc(S(=O)(=O)Nc3nncs3)cc4C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1003611
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    8.5263    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3138    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1014    5.6544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3138    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9512    7.0544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1636    6.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  3  0  0  0  0
  2  9  1  0  0  0  0
  9 10  2  0  0  0  0
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  9 12  1  0  0  0  0
 12 13  1  0  0  0  0
 14 15  1  0  0  0  0
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 16 17  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  2  0  0  0  0
  5 18  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  0  0  0  0
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 29 30  1  0  0  0  0
 26 30  2  0  0  0  0
 26 27  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003611-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
   -4.1185   -4.1117   -1.6385 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.8485    1.9545   -0.9478 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.1330   -2.2220   -1.5992 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3323    0.1982    1.2606 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5706    2.9392   -1.9866 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7304    2.3244    0.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3026    1.4852   -0.8739 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4428    0.5275   -1.7089 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8900    2.6377   -0.5092 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8159   -0.6950    0.3421 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7925   -1.9761    0.8646 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9653   -0.4821    3.9338 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0045   -0.7991    0.5763 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3194    1.4320   -0.2863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1247    0.5980    0.7693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2601    0.9061    1.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0382    0.4891    1.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1565    1.5410   -1.0491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9259   -1.6031   -0.6479 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3 29  1  0  0  0  0
  3 31  1  0  0  0  0
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  7  9  1  0  0  0  0
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  9 28  2  0  0  0  0
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 28 43  1  0  0  0  0
 31 44  1  0  0  0  0
M  END
$$$$

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2023-07-29, 579👍, 0💬