Molecule FYI-1002201

A

Molecule Summary:

ID: FYI-1002201
Names:
InChIKey: LOWPYBSWYZWEPY-JSKKQJDMSA-N
SMILES: N#Cc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Received at FYIcenter.com on: 2023-02-05

Molecule ID: FYI-1002201 Edit

Molecule Structure InChIKey: LOWPYBSWYZWEPY-JSKKQJDMSA-N

Molecule Structure SMILES String: N#Cc6ccc(C5C1CCCCC1(O)C3(C(=O)c2ccccc2C3=O)C(c4ccccc4)C5N(=O)=O)cc6

Download SDF Download SVG Structure in 2D SDF:

FYI-1002201
FYIcenter.com

 39 44  0  0  0  0  0  0  0  0999 V2000
    6.7406    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7406    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5282    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3157    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7406    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1033    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    5.3710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8028    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
  7 12  1  0  0  0  0
  7  8  1  0  0  0  0
 13 14  1  0  0  0  0
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  9 13  1  0  0  0  0
 11 17  1  0  0  0  0
 18 19  1  0  0  0  0
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 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
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  8 26  1  0  0  0  0
  8 23  1  0  0  0  0
 12 27  1  0  0  0  0
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 23 30  2  0  0  0  0
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 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 25 35  2  0  0  0  0
 24 32  2  0  0  0  0
  9 36  1  0  0  0  0
 10 37  1  1  0  0  0
 20 38  1  0  0  0  0
 38 39  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002201-3D
FYIcenter.com

 64 69  0  0  1  0  0  0  0  0999 V2000
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  1  2  3  0  0  0  0
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  3  4  1  0  0  0  0
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  4  5  2  0  0  0  0
  4 39  1  0  0  0  0
  5  6  1  0  0  0  0
  5 40  1  0  0  0  0
  6  7  1  0  0  0  0
  6 37  2  0  0  0  0
  7  8  1  0  0  0  0
  7 33  1  0  0  0  0
  7 41  1  0  0  0  0
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 34 36  2  0  0  0  0
 37 38  1  0  0  0  0
 37 63  1  0  0  0  0
 38 64  1  0  0  0  0
M  END
$$$$

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2023-02-28, 2780👍, 0💬