Molecule FYI-1015662

A

Molecule Summary:

ID: FYI-1015662
Names:
InChIKey: KXOHAAHVVPKJFA-UHFFFAOYSA-N
SMILES: N=C(c1ccccc1S)N4CCN(CCc3cc2CC(=O)Nc2cc3Cl)CC4

Received at FYIcenter.com on: 2025-09-23

Molecule ID: FYI-1015662 Edit

Molecule Structure InChIKey: KXOHAAHVVPKJFA-UHFFFAOYSA-N

Molecule Structure SMILES String: N=C(c1ccccc1S)N4CCN(CCc3cc2CC(=O)Nc2cc3Cl)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015662
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   10.8290    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8290    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6165    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6165    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4041    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5543    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2228    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1916    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.2538    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5328    4.3306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.4696    5.3710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   14.7696    6.5835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2022    7.9149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2655    8.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8961    8.6642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4634    7.3327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4002    6.2924    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20  3  1  0  0  0  0
 21 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 28 23  1  0  0  0  0
 28 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015662-3D
FYIcenter.com

 51 54  0     0  0  0  0  0  0999 V2000
   -2.6923   -1.2039    2.5491 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0879   -0.5002   -1.7194 S   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7022    1.5877   -0.8134 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299   -0.7287   -0.5828 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2432   -1.0936   -0.3496 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0988    0.7891    0.7094 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071   -2.1656    0.2578 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872   -1.5945    0.4666 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3543    0.3759   -0.8782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3375   -2.1714    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7128   -0.1569   -1.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8774   -0.2110   -0.1812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9787   -1.2372   -0.4490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3357   -0.7073   -0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5386   -1.0699    0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4269    0.2204   -0.7239 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1839   -0.2651   -1.0800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8149    0.2645    0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7396   -0.6576    1.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5294    0.7536   -1.5823 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2354    0.2372    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9980   -0.1650    1.6388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6082    1.1109   -0.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    0.5905   -0.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7106    1.1176    1.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9851    1.8242   -0.2746 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3231    2.3514    1.3977 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4604    2.7048    0.6714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1126   -1.0343    1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3172   -2.4350    0.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9480    1.0021   -1.6816 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4860    1.0159    0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7324   -2.7472    0.8836 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.8842   -0.2954   -2.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2203    1.6557   -2.1165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9122   -0.0109   -2.2631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3267   -0.1189    2.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5902    0.9162    1.5862 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6292   -2.9864    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8271    0.8560    1.7547 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8734    2.1231   -0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9150    3.0367    2.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9373    3.6653    0.8432 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8252    0.4199   -2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 24  1  0  0  0  0
  2 51  1  0  0  0  0
  3 23  2  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 12  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
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  6 45  1  0  0  0  0
  7 15  2  0  0  0  0
  7 46  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 33  1  0  0  0  0
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 12 13  1  0  0  0  0
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 13 14  1  0  0  0  0
 13 39  1  0  0  0  0
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 15 21  1  0  0  0  0
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 16 18  1  0  0  0  0
 16 20  1  0  0  0  0
 17 41  1  0  0  0  0
 18 22  2  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
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 24 26  2  0  0  0  0
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 25 47  1  0  0  0  0
 26 28  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  2  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 997👍, 0💬