Molecule Editor

Molecule ID: FYI-1010867 Edit

Molecule Structure InChIKey: QJMDCGLLHBCXQV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(n1nccn1)c(C(=O)N4CCN(c3cc2ccccc2o3)CCC4C)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1010867
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
   12.6583    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6583    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8707    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8707    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6583    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6583    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7909    6.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3583    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9583    7.7544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5257    6.4230    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4459    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2334    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2334    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.8240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1047    1.4279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3660    0.8204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5228    1.6092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8829    1.2772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7149    1.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0993    1.1516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1255    2.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4288    1.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4459    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  6  1  0  0  0  0
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
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 26 25  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 14  1  0  0  0  0
 30 29  1  0  0  0  0
 31 11  2  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010867-3D
FYIcenter.com

 56 60  0  0  1  0  0  0  0  0999 V2000
   -2.2383   -2.7551    5.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3976   -2.9320    4.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1747   -3.5790    4.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5227   -3.7721    2.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0398   -3.4201    1.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7541   -3.7030    0.4504 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2465   -3.8999   -0.8030 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3452   -4.0421   -1.5391 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3052   -2.8139    1.5489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0122   -2.3384    0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0368   -2.1030   -1.0921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5823   -3.1771   -2.0815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9234   -3.6656   -1.7319 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$