Molecule FYI-1003501

A

Molecule Summary:

ID: FYI-1003501
Names:
InChIKey: WFXRLISEEGXGJM-UHFFFAOYSA-N
SMILES: Nc1cc(F)ccc1NC(=O)c4ccc(CNc3nccc(c2cccnc2)n3)cc4

Received at FYIcenter.com on: 2023-06-23

Molecule ID: FYI-1003501 Edit

Molecule Structure InChIKey: WFXRLISEEGXGJM-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(F)ccc1NC(=O)c4ccc(CNc3nccc(c2cccnc2)n3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003501
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   11.2000    0.0000 F   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
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  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
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  9  8  1  0  0  0  0
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 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
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 19 18  1  0  0  0  0
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 23 22  1  0  0  0  0
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 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
 31  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003501-3D
FYIcenter.com

 50 53  0     0  0  0  0  0  0999 V2000
   10.1551    0.6643   -0.2469 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3461   -1.8406    1.0491 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4553   -1.3527   -0.2348 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6314    0.2291   -0.0193 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5656   -0.3899   -0.1146 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2580   -2.6281   -0.9535 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8464    2.5515   -1.1428 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2351    2.3461   -0.6743 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3388   -0.3393    0.3623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8196   -0.1708    0.3062 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310   -0.6550    0.4678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4715    0.2904   -0.5826 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6207   -1.2846    1.4127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749   -0.8199    0.5220 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0406    0.3573   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8192   -1.4620   -0.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6339    1.4937   -0.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8896   -0.5298   -0.3333 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8373   -0.6748    0.4105 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8386    2.5107   -1.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -8.8635    3.6551    0.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
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 31 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-05, 2806👍, 0💬