Molecule FYI-1003751

A

Molecule Summary:

ID: FYI-1003751
Names:
InChIKey: GSDSWSVVBLHKDQ-JTQLQIEISA-N
SMILES: C[C@H]2COc3c(N1CCN(C)CC1)c(F)cc4c(=O)c(C(=O)O)cn2c34

Received at FYIcenter.com on: 2023-07-25

Molecule ID: FYI-1003751 Edit

Molecule Structure InChIKey: GSDSWSVVBLHKDQ-JTQLQIEISA-N

Molecule Structure SMILES String: C[C@H]2COc3c(N1CCN(C)CC1)c(F)cc4c(=O)c(C(=O)O)cn2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003751
FYIcenter.com

 26 29  0  0  1  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  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
 12  6  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  5  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 14  1  0  0  0  0
 24  9  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003751-3D
FYIcenter.com

 46 49  0     1  0  0  0  0  0999 V2000
   -1.6954   -2.8989   -0.2014 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0001    1.7595    0.2511 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312   -2.4088   -0.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6199   -1.2542   -0.6385 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9734    0.6276    0.6121 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7213   -0.3486    0.0160 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8461    1.3746    0.1655 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5669   -0.1342   -0.1096 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5512   -0.9730    1.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3853   -0.1080   -1.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2583    2.7168    0.1438 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3384   -0.5623    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9384    0.2982    0.1030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4488    0.5071    0.1313 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8858   -0.2358    1.1867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7244    0.6021   -1.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0942    2.6867    0.8573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4128   -1.0234    0.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8501   -1.8632   -0.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2037    1.1260    0.1461 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5242   -2.0994   -0.0962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1371    3.2138   -1.2992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8787   -1.2731   -0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8641    0.5237    0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7708   -0.0847    0.0727 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2315   -0.1688    0.0640 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7566    0.5161   -1.9184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5398   -1.0645   -1.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9097    3.4113    0.6902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5117   -0.7883    1.8979 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7114    0.7619    1.6120 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2296    0.6763   -2.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0215    2.4267    1.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5644    3.6756    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7950    2.0351    0.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8817   -3.1218   -0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6965    4.2158   -1.3263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1226    3.2678   -1.7745 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    2.5534   -1.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7696    1.5447    0.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5060   -0.0455    0.7239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3880    0.5669   -0.9189 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963   -1.3448   -0.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 14  1  0  0  0  0
  2 17  1  0  0  0  0
  3 23  2  0  0  0  0
  4 26  1  0  0  0  0
  4 46  1  0  0  0  0
  5 26  2  0  0  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7 11  1  0  0  0  0
  7 13  1  0  0  0  0
  7 20  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
  8 24  1  0  0  0  0
  9 15  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 16  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 17  1  0  0  0  0
 11 22  1  0  0  0  0
 11 31  1  0  0  0  0
 12 14  1  0  0  0  0
 12 19  2  0  0  0  0
 13 14  2  0  0  0  0
 13 18  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 21  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 20 25  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 22 40  1  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 23 25  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-03, 1673👍, 0💬