Molecule Editor

Molecule ID: FYI-1016753 Edit

Molecule Structure InChIKey: ZTZKCRRXPQXSGD-OXJNMPFZSA-N

Molecule Structure SMILES String: Cc5ccc([C@@H](Sc3nnc2c1ccccc1[nH]c2n3)C(=O)NC[C@@H]4CCCO4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1016753
FYIcenter.com

 31 35  0  0  1  0  0  0  0  0999 V2000
    9.3178    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5302    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7426    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9552    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1015    4.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4708    3.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1708    5.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2341    6.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    6.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.6805    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4681    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2556    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4681    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.9618    0.8516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.9979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    3.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8929    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1054    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3178    3.5000    0.0000 C   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  1  0  0  0  0
  5  4  1  6  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  1  0  0  0  0
  9  5  1  0  0  0  0
 10  2  1  0  0  0  0
 10 11  1  1  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
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 20 19  2  0  0  0  0
 20 12  1  0  0  0  0
 21 17  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
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 24 16  1  0  0  0  0
 25 10  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 28  1  0  0  0  0
 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016753-3D
FYIcenter.com

 54 58  0  0  1  0  0  0  0  0999 V2000
    2.5843    0.4114   -0.3585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1024    0.2330   -0.2052 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3591   -0.4755   -1.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0307   -0.5834   -1.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7093    0.0193    0.0384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2337   -0.0231    0.0984 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8600   -0.8114    1.6386 S   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2180   -2.4689    1.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1228   -3.0556    0.2737 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7290   -4.3379    0.1406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4575   -5.0024    1.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0337   -6.3371    1.5696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7370   -7.4726    0.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206   -8.6557    1.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1974   -8.7224    2.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4923   -7.6156    3.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9110   -6.4426    2.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2699   -5.2243    3.4979 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5896   -4.3464    2.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9738   -3.0725    2.6807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8274    1.4094   -0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$