Molecule FYI-1015383

A

Molecule Summary:

ID: FYI-1015383
Names:
InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-N
SMILES: CCc3ccc(CCOc2ccc(CC1SC(=O)NC1=O)cc2)nc3

Received at FYIcenter.com on: 2025-08-25

Molecule ID: FYI-1015383 Edit

Molecule Structure InChIKey: HYAFETHFCAUJAY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc3ccc(CCOc2ccc(CC1SC(=O)NC1=O)cc2)nc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015383
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   14.5884    3.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5884    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3760    5.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3760    6.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1635    7.4871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9511    6.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9511    5.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1635    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387    7.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5263    6.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3137    7.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    6.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    7.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    6.7871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6764    5.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8889    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1013    5.3871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640    4.6871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640    3.2871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    2.4641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7640    1.1327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640    1.1327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9869    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5966    2.4641    0.0000 S   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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
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  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  0  0  0  0
 25 19  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015383-3D
FYIcenter.com

 45 47  0     1  0  0  0  0  0999 V2000
   -5.0292    1.0875    0.1775 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198    1.7558   -0.9119 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2929   -2.6972   -0.5309 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5995    1.0998    0.7308 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6189   -0.9104    0.0998 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4515    0.5301   -1.1303 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3099   -0.4957   -0.3561 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.1474   -0.8907    0.5373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8742   -0.1835    0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4333   -1.5050   -0.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5711    1.0398    0.7289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0255   -0.7677   -0.7786 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7380    2.6209   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4699    1.1177   -0.5615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2291    2.5854    0.0762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3924    1.6941    0.3711 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1533   -0.1133   -1.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3697    1.2569   -0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6386    0.4300    0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4961   -1.2021    0.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8107    0.8528    1.2386 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1087   -2.5560    0.2591 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3870   -0.4093    1.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0174   -0.6911   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0818   -3.6488    0.5527 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2035    3.3246    0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8257    3.6003   -0.0178 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0388    2.2145    1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8216   -0.5671   -1.8631 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5855   -3.4770    1.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
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  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3 10  2  0  0  0  0
  4 19  2  0  0  0  0
  5 10  1  0  0  0  0
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  5 37  1  0  0  0  0
  6 18  2  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
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 11 29  1  0  0  0  0
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 14 17  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
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 21 38  1  0  0  0  0
 22 25  1  0  0  0  0
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 22 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
$$$$

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2025-11-06, 571👍, 0💬