Molecule FYI-1004347

A

Molecule Summary:

ID: FYI-1004347
Names:
InChIKey: QJANHLNLFYQUET-UHFFFAOYSA-N
SMILES: COc4ccc(F)c(c3cccc(C(=O)Nc1ccc(OC(F)(F)F)cc1c2nnn[nH]2)n3)c4

Received at FYIcenter.com on: 2023-08-31

Molecule ID: FYI-1004347 Edit

Molecule Structure InChIKey: QJANHLNLFYQUET-UHFFFAOYSA-N

Molecule Structure SMILES String: COc4ccc(F)c(c3cccc(C(=O)Nc1ccc(OC(F)(F)F)cc1c2nnn[nH]2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1004347
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
   11.9154    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9154    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1278    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1278    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    2.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.7997    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8532    0.6998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8530    6.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6405    6.9997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    6.2997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6404    8.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8529    9.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8528   10.4998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0653    8.3998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0653    9.7998    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    4.7690    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.5162    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.8073    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
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  3  4  2  0  0  0  0
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  2  9  1  0  0  0  0
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 20 21  1  0  0  0  0
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 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 19 24  1  0  0  0  0
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 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
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 24 30  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 30 34  1  0  0  0  0
 30 31  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004347-3D
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.9658    0.2079    4.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2535    0.6832    4.5661 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4057    1.1133    3.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4456    1.0327    2.2696 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7305    1.5327    1.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9754    2.1110    0.7364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2002    2.5645   -0.5100 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9638    2.2101    1.7228 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2578    2.8630    1.4536 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4582    2.4286    2.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6363    3.1310    1.7704 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5945    4.2598    0.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3680    4.6342    0.4389 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2612    5.8427   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2405    6.5545   -0.6372 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0199    6.0008   -1.0280 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7084    7.0577   -1.9072 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0217    8.3711   -1.5239 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6747    9.4609   -2.3284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0186    9.2471   -3.5348 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6816   10.2180   -4.4276 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1243   11.4305   -3.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9291   11.4473   -2.5988 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.9346   12.4588   -4.2657 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278   11.6285   -4.5316 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7470    7.9363   -3.9424 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4373    4.3472   -3.3744 N   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5057    8.5637   -0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2954    7.7766   -4.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2453    4.2081   -2.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3704    1.7619    3.8099 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 35  1  0  0  0  0
  1 36  1  0  0  0  0
  1 37  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  2  0  0  0  0
  4  5  2  0  0  0  0
  4 38  1  0  0  0  0
  5  6  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
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 17 18  1  0  0  0  0
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 20 21  1  0  0  0  0
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 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 32  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 47  1  0  0  0  0
 34 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-07, 1965👍, 0💬