Molecule FYI-1015633

A

Molecule Summary:

ID: FYI-1015633
Names:
InChIKey: ROCIFXMCXREOFS-UHFFFAOYSA-N
SMILES: COc3ccc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)cc3OC

Received at FYIcenter.com on: 2025-09-20

Molecule ID: FYI-1015633 Edit

Molecule Structure InChIKey: ROCIFXMCXREOFS-UHFFFAOYSA-N

Molecule Structure SMILES String: COc3ccc(NC(=S)NC(=O)c1ccccc1COc2ccc(Cl)cc2)cc3OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015633
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.4000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    7.0000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 Cl  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
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 27 21  1  0  0  0  0
 28  6  1  0  0  0  0
 29 28  2  0  0  0  0
 29  3  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015633-3D
FYIcenter.com

 52 54  0  0  0  0  0  0  0  0999 V2000
   -0.5095    0.8595   -3.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8911   -0.2497   -4.3670 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0556   -1.2288   -4.5202 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9690   -1.5163   -3.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9756   -2.4690   -3.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1028   -3.1589   -4.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1862   -4.0074   -5.1833 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4635   -4.1419   -4.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1217   -3.5298   -3.2534 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.3489   -4.8494   -5.4726 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0921   -5.3208   -6.7458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9527   -5.3798   -7.2094 O   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4779   -5.2105   -7.7260 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9878   -4.0595   -6.8883 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6372   -4.6022   -5.7350 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2895   -3.7208   -4.9119 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1678   -2.3299   -4.9497 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8457   -1.5356   -4.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6506   -2.1287   -3.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4647   -1.1460   -1.8917 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.7919   -3.5120   -3.0068 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1134   -2.9626   -5.8400 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 34  1  0  0  0  0
  2  3  1  0  0  0  0
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  3 29  2  0  0  0  0
  4  5  2  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  2  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 27  2  0  0  0  0
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 30 31  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

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2025-09-24, 1100👍, 0💬