Molecule Editor

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
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  4  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 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
    0.2359   -1.1268    1.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8563    0.1326   -0.5297 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
   -6.6930    0.6170    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0237    1.5979   -0.6895 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2272   -0.5706    0.3562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4645   -1.6720   -0.8521 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8203    0.5657   -0.1938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5914   -2.6992   -1.1465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7203    1.1028    1.3191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4615    1.2684   -0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5041    2.2095    1.6261 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2363    2.7898    0.6027 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0477   -1.8985    2.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4997    2.4774   -1.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8492   -1.3740    0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5293   -1.7766   -1.0204 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.4831    0.9452   -1.9718 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3045    3.3624   -1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8386    2.5107   -1.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5414    2.6051    2.6346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -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
  2 16  2  0  0  0  0
  3 10  1  0  0  0  0
  3 18  1  0  0  0  0
  3 38  1  0  0  0  0
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  4 39  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  2  0  0  0  0
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  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 32  1  0  0  0  0
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 31 50  1  0  0  0  0
M  END
$$$$