Molecule Editor

Molecule ID: FYI-1009184 Edit

Molecule Structure InChIKey: DNRDVSBPQLYTAQ-GOSISDBHSA-N

Molecule Structure SMILES String: CC#CCn2c(N1CCC[C@@H](N)C1)nc4c2c(=O)n(Cc3ccc(Cl)cc3C(=O)OOCC)c(=O)n4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009184
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    9.9918    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7792    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9918    9.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2042    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2210    5.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0229    1.6674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3544    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5668    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.5876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.3751    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    4.0124    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  0  0  0  0
  6  5  2  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  8  1  0  0  0  0
 11 10  2  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  3  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  3  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 28 20  2  0  0  0  0
 29 28  1  0  0  0  0
 29  2  1  0  0  0  0
 30 29  1  0  0  0  0
 31 26  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 33 34  1  6  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 37 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009184-3D
FYIcenter.com

 66 69  0  0  1  0  0  0  0  0999 V2000
    8.4834   -0.0288   -2.9810 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3604   -0.0025   -1.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3024   -4.3309    1.1515 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9381   -5.7076    0.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2976   -5.9181   -0.5566 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2168   -4.7830   -1.0110 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5836   -5.0059   -2.4194 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5469   -3.3928   -0.7920 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9758   -2.5901    2.6837 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4206   -1.4536    3.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3587   -0.3729    2.4333 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7537    0.9456    2.9063 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7023    1.9479    2.2145 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2141    0.9714    4.2532 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7687    2.2312    4.8215 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7605    3.1595    5.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6942    2.5791    6.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6696    3.3450    6.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7129    4.7261    6.6772 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4139    5.6630    7.2999 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8020    5.3427    6.0719 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8380    4.5769    5.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$