Molecule FYI-1010210

A

Molecule Summary:

ID: FYI-1010210
Names:
InChIKey: GRWRCRXHBBBVRT-UHFFFAOYSA-N
SMILES: COc5ccc(C4CCN(c3ccc(C(=O)Nc2nc1ccccc1s2)cc3)C4)cc5

Received at FYIcenter.com on: 2024-06-03

Molecule ID: FYI-1010210 Edit

Molecule Structure InChIKey: GRWRCRXHBBBVRT-UHFFFAOYSA-N

Molecule Structure SMILES String: COc5ccc(C4CCN(c3ccc(C(=O)Nc2nc1ccccc1s2)cc3)C4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1010210
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
   18.9409    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9409    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7331    2.7891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5254    2.0919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5254    0.6973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7331    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1991    2.5228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.3794    1.3946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1991    0.2664    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   12.9849    1.3946    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2849    2.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8849    2.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9849    3.8194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1849    3.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7849    3.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0849    2.6070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6849    2.6070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5305    1.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8620    1.4744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3979    4.1299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5442    5.5222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9863    4.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1189    3.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463    7.9909    0.0000 C   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
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  5  9  1  0  0  0  0
  4  7  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 12 18  1  0  0  0  0
 12 14  2  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 23  1  0  0  0  0
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 21 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
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 28 29  2  0  0  0  0
 24 29  1  0  0  0  0
 24 25  2  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010210-3D
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
    1.2671   -0.1904    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6733   -0.0670   -0.0243 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1887   -0.7518   -1.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5057   -1.0380   -2.2697 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1331   -1.7551   -3.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4500   -2.2073   -3.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1556   -3.0377   -4.2245 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8777   -2.1863   -5.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9218   -2.1261   -6.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2075   -3.4064   -6.4266 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8925   -4.1003   -7.5835 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5550   -8.4813  -12.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1497  -12.2909  -15.1915 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3921  -12.0264  -13.8439 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5 36  1  0  0  0  0
  6  7  1  0  0  0  0
  6 30  2  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
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 19 20  1  0  0  0  0
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 20 25  2  0  0  0  0
 21 22  2  0  0  0  0
 21 45  1  0  0  0  0
 22 23  1  0  0  0  0
 22 46  1  0  0  0  0
 23 24  2  0  0  0  0
 23 47  1  0  0  0  0
 24 25  1  0  0  0  0
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 27 28  1  0  0  0  0
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 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 30 53  1  0  0  0  0
 31 54  1  0  0  0  0
M  END
$$$$

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