Molecule FYI-1000307

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A

Molecule Summary:

ID: FYI-1000307
SMILES: c1cc(ccc1[C@@H](CNC(=O)C2CCC2)O)Cl

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000307 Edit

Molecule Structure SMILES String: c1cc(ccc1[C@@H](CNC(=O)C2CCC2)O)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1000307
FYIcenter.com

 17 18  0  0  1  0  0  0  0  0999 V2000
    8.9893    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2017    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9893    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7768    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9270    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7146    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623    1.7623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3523    0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5643    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4141    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  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  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 12  1  0  0  0  0
  7 16  1  6  0  0  0
 17  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000307-3D
FYIcenter.com

 33 34  0  0  1  0  0  0  0  0999 V2000
    4.7994    2.0660    1.1488 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0533    3.4426    1.1445 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6603    4.2180    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0021    3.6288   -1.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7501    2.2516   -1.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643    1.4413    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8853   -0.0585    0.0297 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5270   -0.7551   -1.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3021   -2.1944   -1.2090 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1757   -2.7562   -1.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3296   -2.0639   -2.3435 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1171   -4.3027   -1.6437 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7187   -4.9833   -1.6372 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3053   -6.0241   -0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3164   -4.9421   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861   -0.6944    1.2188 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9776    5.9068    0.0505 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.0954    1.4951    2.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5506    3.9001    1.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6769    4.2326   -1.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2157    1.8197   -1.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001   -0.2114    0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6155   -0.6245   -1.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1554   -0.3322   -2.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856   -2.7734   -0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7760   -4.7678   -2.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3788   -5.3810   -2.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9190   -4.3737   -1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7644   -6.8858   -1.1628 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6319   -6.3825    0.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3247   -5.3038   -0.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9725   -4.3191    0.5939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3527   -0.6016    1.2020 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 18  1  0  0  0  0
  2  3  2  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 22  1  6  0  0  0
  8  9  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
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-01, 2508👍, 0💬