Molecule FYI-1014177

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A

Molecule Summary:

ID: FYI-1014177
Names:
InChIKey: PFUOGUYIRVDOEE-UHFFFAOYSA-N
SMILES: CCc2c(C)sc(NC(=O)C1CCCC1)c2C(N)=O

Received at FYIcenter.com on: 2025-03-07

Molecule ID: FYI-1014177 Edit

Molecule Structure InChIKey: PFUOGUYIRVDOEE-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc2c(C)sc(NC(=O)C1CCCC1)c2C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014177
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
   10.2268    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6595    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5268    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3942    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8268    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0627    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7717    3.1335    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0223    0.8273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4402    3.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0076    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6076    4.8976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749    3.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3076    2.7432    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.8305    6.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2228    5.8839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2610    7.3092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    6.0302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8435    3.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5120    2.7009    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4108    4.4650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2761    1.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    5.8839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    7.2762    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8747    4.1556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  9 13  1  0  0  0  0
  9 10  2  0  0  0  0
 10 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014177-3D
FYIcenter.com

 39 40  0     0  0  0  0  0  0999 V2000
    0.6618    1.8360    0.0710 S   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0638    1.5951    0.1658 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9523   -2.5224    1.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7584   -0.3652    0.2775 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9020   -2.6512   -0.8683 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1301   -0.5129    0.3565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6193   -0.9066   -1.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2933    0.2205    1.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0822   -0.4809   -1.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1757    0.6756   -0.1274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9305    0.3791    0.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5397    0.1455    0.2021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7402   -0.4913    0.2154 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163    0.4371    0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3708    1.7379    0.0288 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2495    0.0511    0.1013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8775   -1.9229    0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596    2.9848   -0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7838   -0.2092   -1.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8821   -1.4022    0.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5220   -1.9844   -1.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0479   -0.4034   -1.8312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9983    1.0535    1.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8558   -0.4876    1.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7256   -1.3056   -0.7768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3876   -0.1980   -2.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7775    1.5915   -0.5790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2046    0.8689    0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8197   -1.3779    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8580    0.8332    0.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4061   -0.8469    0.7112 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7011    3.1806    0.8422 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8929    2.9032   -0.8984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5382    3.8610   -0.3029 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2392   -1.0235   -1.7946 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8418   -0.4865   -1.2626 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6913    0.6813   -1.9366 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8348   -2.2039   -1.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9894   -3.6619   -0.8584 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 15  1  0  0  0  0
  2 11  2  0  0  0  0
  3 17  2  0  0  0  0
  4 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 29  1  0  0  0  0
  5 17  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 18 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1813👍, 0💬