Molecule Editor

Molecule ID: FYI-1004584 Edit

Molecule Structure InChIKey: KLYIFYOVNVTEMX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)n1cnnc1c2)n3)nc4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004584
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   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
    1.2125    2.8000    0.0000 N   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
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    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274    5.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9580    6.4157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5657    6.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 N   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
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
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 24 23  1  0  0  0  0
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 29 18  2  0  0  0  0
 29 13  1  0  0  0  0
 30 11  1  0  0  0  0
 31 30  2  0  0  0  0
 31  8  1  0  0  0  0
 32  6  1  0  0  0  0
 33 32  1  0  0  0  0
 33  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004584-3D
FYIcenter.com

 56 60  0  0  0  0  0  0  0  0999 V2000
    3.1556    8.3061    0.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3759    7.5131    1.3172 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1128    6.3840    2.2235 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4054    5.7994    2.6485 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0932    4.9590    1.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2818    3.8112    1.0951 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1252    2.7823    2.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4205    2.1552    2.5928 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9566    1.0647    1.9222 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1269    0.4794    2.3947 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7619    0.9882    3.5302 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8961    0.3934    4.0633 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2623   -0.9487    4.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3999   -1.2775    4.6977 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7694   -2.5791    4.6685 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0309   -3.5611    4.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4267   -4.8393    4.0606 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8608   -3.1461    3.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9200   -4.1051    2.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9205   -4.8123    3.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522   -5.7534    3.1107 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2417   -6.4306    3.8404 F   0  0  0  0  0  0  0  0  0  0  0  0
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    6.6923   -6.9318    0.9508 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$