Molecule FYI-1001278

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A

Molecule Summary:

ID: FYI-1001278
SMILES: [O-]C(=O)[C@@](C)(O)CNC(=O)Nc(s1)ncc1Cc2cc(Cl)c(C)cc2

Received at FYIcenter.com on: 2022-04-26

Molecule ID: FYI-1001278 Edit

Molecule Structure SMILES String: [O-]C(=O)[C@@](C)(O)CNC(=O)Nc(s1)ncc1Cc2cc(Cl)c(C)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001278
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
   16.5256    5.5551    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   15.3131    4.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3131    3.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1007    5.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8007    6.7675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4007    6.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8883    4.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6758    5.5551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4634    4.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4634    3.4551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2509    5.5551    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0385    4.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7596    5.4245    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    7.8922    3.4628    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5228    3.1717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8228    4.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    4.5305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    3.3979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    3.5442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5579    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1389    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    2.1189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  4  6  1  6  0  0  0
  7  4  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  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 24  2  0  0  0  0
 25 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001278-3D
FYIcenter.com

 42 43  0  0  1  0  0  0  0  0999 V2000
    7.9747   -2.7329    3.1456 O   0  5  0  0  0  0  0  0  0  0  0  0
    7.4370   -1.7350    2.5659 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4664   -1.0181    2.9277 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1231   -1.3858    1.2090 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1501   -0.2968    1.5034 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8621   -2.5524    0.7396 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0582   -0.9888    0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625   -0.6986   -1.1075 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0189   -0.2041   -2.1963 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8189    0.0618   -2.2306 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7998    0.0938   -3.2819 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1491   -0.0983   -3.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0123    0.7260   -4.5342 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.8624   -0.8275   -2.4965 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1951   -0.6620   -2.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4837    0.1847   -3.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8235    0.6227   -4.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4097   -0.3273   -5.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1903   -1.4182   -4.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6991   -2.3222   -5.8555 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6577   -3.6300   -5.2591 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.4300   -2.1532   -7.2213 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9088   -3.0902   -8.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6446   -1.0581   -7.6177 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1386   -0.1585   -6.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8537   -0.6261    2.2789 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6809    0.6305    1.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7615   -0.0770    0.6207 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8938   -3.1049    1.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4868   -0.1064    0.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3533   -1.8108    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5566   -1.1589   -1.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3501    0.6091   -4.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9192   -1.1698   -2.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5073    0.7008   -3.4470 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7749    1.6350   -4.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3996   -1.5769   -3.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5567   -3.8863   -7.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4786   -2.5335   -9.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0487   -3.5633   -8.7786 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4111   -0.9078   -8.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5208    0.6726   -7.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  4  2  1  1  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 16  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23 38  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-05-01, 637👍, 0💬