Molecule FYI-1003080

A

Molecule Summary:

ID: FYI-1003080
Names:
InChIKey: KXKFKKUVLLNNBK-CABZTGNLSA-N
SMILES: NC(=O)[C@H]3CC[C@H](Nc2ccc(c1cc(F)c(O)c(F)c1)cn2)C3

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003080 Edit

Molecule Structure InChIKey: KXKFKKUVLLNNBK-CABZTGNLSA-N

Molecule Structure SMILES String: NC(=O)[C@H]3CC[C@H](Nc2ccc(c1cc(F)c(O)c(F)c1)cn2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003080
FYIcenter.com

 24 26  0  0  1  0  0  0  0  0999 V2000
    4.6407   11.1834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   11.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   13.2834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   11.1834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369   11.7528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.7124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    9.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1306    8.2210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9535    7.0884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3458    7.2347    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    9.7911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 23  9  1  0  0  0  0
 24  7  1  0  0  0  0
 24  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003080-3D
FYIcenter.com

 41 43  0  0  1  0  0  0  0  0999 V2000
    0.3746   -6.6419    0.8048 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4027   -5.5101    0.0437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6268   -5.0943   -0.4705 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7518   -4.8070   -0.0482 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.8529   -5.6910   -0.6184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6572   -5.6301   -2.1317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8635   -4.3417   -2.4212 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6100   -3.4779   -3.3277 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6324   -3.8644   -4.6788 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5500   -3.2213   -5.4995 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6364   -3.5688   -6.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7915   -4.5401   -7.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8554   -4.8877   -8.8298 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0873   -4.8980   -9.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1457   -5.1224  -10.8904 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3307   -5.0858  -11.5162 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9949   -5.3641  -11.6221 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0573   -5.5543  -12.9739 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7755   -5.3967  -10.9616 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6432   -5.6312  -11.6410 F   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
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  7 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  6  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  2  0  0  0  0
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 11 12  1  0  0  0  0
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 24 40  1  0  0  0  0
 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-19, 1919👍, 0💬