Molecule FYI-1013136

A

Molecule Summary:

ID: FYI-1013136
Names:
InChIKey: PEKNLWJKNVZVGV-UHFFFAOYSA-N
SMILES: Cc4cccc(n3ncc(SSSc2cnn(c1cccc(C)c1)c(=O)c2Cl)c(Cl)c3=O)c4

Received at FYIcenter.com on: 2024-11-14

Molecule ID: FYI-1013136 Edit

Molecule Structure InChIKey: PEKNLWJKNVZVGV-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc4cccc(n3ncc(SSSc2cnn(c1cccc(C)c1)c(=O)c2Cl)c(Cl)c3=O)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013136
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   15.7617    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3369    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1243    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31  7  1  0  0  0  0
 32 31  2  0  0  0  0
 33  6  2  0  0  0  0
 33  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013136-3D
FYIcenter.com

 49 52  0  0  0  0  0  0  0  0999 V2000
    1.7400  -13.4116   -1.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5107  -13.2173   -0.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0199  -14.2640    0.3542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0922  -14.0652    1.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7189  -12.8164    1.1985 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.9244  -10.4629    0.4324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6780   -9.6786   -0.6813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110   -8.5555   -0.7802 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 49  1  0  0  0  0
M  END
$$$$

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2024-11-23, 971👍, 0💬