Molecule FYI-1013734

A

Molecule Summary:

ID: FYI-1013734
Names:
InChIKey: MIKPTLKXNAVIHF-UHFFFAOYSA-N
SMILES: CCS(=O)(=O)c3c(C)c(c1ncccc1C)nc4c(C2CCCCC2)cnn34

Received at FYIcenter.com on: 2025-01-23

Molecule ID: FYI-1013734 Edit

Molecule Structure InChIKey: MIKPTLKXNAVIHF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCS(=O)(=O)c3c(C)c(c1ncccc1C)nc4c(C2CCCCC2)cnn34

Download SDF Download SVG Structure in 2D SDF:

FYI-1013734
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
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    8.4871    6.8817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9746    8.7941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    7.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    8.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    5.4817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013734-3D
FYIcenter.com

 54 57  0  0  0  0  0  0  0  0999 V2000
    1.3320   -0.8503    3.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8359   -0.8826    2.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2577   -1.0070    1.1679 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6500   -2.2306    0.6697 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8557    0.2359    0.5359 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9958   -1.1736    1.2212 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5993   -2.3930    1.2798 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9312   -3.7305    1.4426 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1336   -2.3423    1.2367 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9347   -3.6296    1.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3631   -4.6875    0.6341 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0138   -5.8701    0.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2353   -6.0538    1.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8322   -4.9562    1.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1865   -3.7123    1.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8673   -2.5531    2.5680 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6309    1.2354    1.2393 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0692    1.6786    1.2542 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3921    2.4872    2.5246 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8304    2.9987    2.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1481    3.7996    1.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.4467    2.4578   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.7531    0.0014    1.2233 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0953   -0.7517    4.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9893    3.6246    3.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1958    4.1205    1.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5355    4.7094    1.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5820    2.1294   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0828    3.5864   -0.8626 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3246    1.8145   -0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3843    3.1000    1.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
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  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  2  0  0  0  0
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  3  6  1  0  0  0  0
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  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
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 27 28  1  0  0  0  0
M  END
$$$$

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2025-02-16, 977👍, 0💬