Molecule Editor

Molecule ID: FYI-1004599 Edit

Molecule Structure InChIKey: YOIPQACXCUARFA-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN5CCN(Cc4ccc(Nc3ncc(F)c(c2cc(F)c1nc(C)n(C(C)C)c1c2)n3)cn4)CC5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004599
FYIcenter.com

 37 41  0  0  0  0  0  0  0  0999 V2000
    2.3757    9.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1756    8.3564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.2356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244    4.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2489    4.1570    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4489    4.8781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4245    6.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2733    2.7572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5222    0.6787    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8980    7.1259    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.1586    8.4476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7639    8.5697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2170    7.2810    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8527    6.9660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4434    5.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429    9.7698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9713    2.9265    0.0000 F   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
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  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 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
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 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
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 34 33  1  0  0  0  0
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 36 31  1  0  0  0  0
 37 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004599-3D
FYIcenter.com

 69 73  0  0  0  0  0  0  0  0999 V2000
    0.5973    0.0498   -1.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2392    3.6883   -0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7320    3.6607   -0.7168 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3547    4.5974    0.1036 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7467    4.5619    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4926    3.5646   -0.3903 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8854    3.5091   -0.2171 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7060    2.3849   -0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3293    1.3744   -1.1507 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.0453    0.2428   -1.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1521    0.0929   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7943   -1.0837   -0.2982 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5415    1.1944    0.4067 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7334    1.1998    1.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7625    1.9894    2.4319 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8776    2.0146    3.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8517    2.7856    4.3667 F   0  0  0  0  0  0  0  0  0  0  0  0
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   18.1969    1.1039    3.6065 N   0  0  0  0  0  0  0  0  0  0  0  0
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   18.2381   -0.1473    1.7641 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6793   -1.0031    0.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$