Molecule FYI-1013675

A

Molecule Summary:

ID: FYI-1013675
Names:
InChIKey: SDUFKKCKLSAPDK-UHFFFAOYSA-N
SMILES: CCS(=O)(=O)c4cc(c1ncccn1)n3ncc(C2CCC(F)(F)CC2)c3n4

Received at FYIcenter.com on: 2025-01-20

Molecule ID: FYI-1013675 Edit

Molecule Structure InChIKey: SDUFKKCKLSAPDK-UHFFFAOYSA-N

Molecule Structure SMILES String: CCS(=O)(=O)c4cc(c1ncccn1)n3ncc(C2CCC(F)(F)CC2)c3n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013675
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
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    4.8498    8.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5969    5.6233    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
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 17 16  2  0  0  0  0
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 21 20  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
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 27 18  2  0  0  0  0
 27 15  1  0  0  0  0
 28 27  1  0  0  0  0
 28  6  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013675-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    1.4635    3.1589   -1.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9349    2.7990   -1.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2661    1.6877   -0.4444 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.9005    2.3530    0.7944 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7650    0.3681   -0.7690 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0618    1.5706   -0.4417 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7755    1.9345    0.8179 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1149    1.8384    0.7791 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9001    2.2124    1.9425 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1009    1.2695    2.8799 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8457    1.6437    3.9359 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3571    2.9107    4.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0532    3.8060    3.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3140    3.4909    2.0168 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7553    1.4028   -0.3800 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0822    1.2321   -0.6006 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1690    0.8311   -1.8629 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.6683    0.2958   -3.9445 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3465   -0.4588   -4.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3572   -1.8686   -3.5944 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5470   -2.6761   -4.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6100   -3.8501   -3.4092 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.3449   -2.9982   -5.3922 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5334    3.7003   -1.6325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2585    2.3103   -2.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6439   -2.5265   -4.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2010   -1.9300   -2.9228 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6603   -0.6164   -5.6368 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7840   -0.0450   -4.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  2  3  1  0  0  0  0
  2 32  1  0  0  0  0
  2 33  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
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  6 28  2  0  0  0  0
  7  8  2  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 15  1  0  0  0  0
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  9 14  2  0  0  0  0
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 15 16  1  0  0  0  0
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 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 27  2  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  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, 1122👍, 0💬