Molecule FYI-1003139

A

Molecule Summary:

ID: FYI-1003139
Names:
InChIKey: LOUPRKONTZGTKE-LHHVKLHASA-N
SMILES: C=CC1CN2CCC1CC2C(O)c3ccnc4ccc(OC)cc34

Received at FYIcenter.com on: 2023-05-14

Molecule ID: FYI-1003139 Edit

Molecule Structure InChIKey: LOUPRKONTZGTKE-LHHVKLHASA-N

Molecule Structure SMILES String: C=CC1CN2CCC1CC2C(O)c3ccnc4ccc(OC)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003139
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.3339   10.9311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3339    9.5972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891    8.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4891    7.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443    6.9294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3108    5.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0908    5.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9546    5.5955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9546    6.9294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7995    7.5963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7 29  1  0  0  0  0
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 13 33  1  6  0  0  0
 14 34  1  1  0  0  0
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 16 37  1  1  0  0  0
 17 38  1  0  0  0  0
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 18 41  1  0  0  0  0
 20 42  1  0  0  0  0
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 21 44  1  6  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
 24 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003139-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
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    2.7574   -3.0505   -0.2877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6556    0.6475    0.9883 N   0  0  2  0  0  0  0  0  0  0  0  0
    3.0434    2.3993    0.5965 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2792   -1.2118    0.5230 C   0  0  2  0  0  0  0  0  0  0  0  0
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  2 24  1  0  0  0  0
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  4 20  1  0  0  0  0
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  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
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 11 34  1  0  0  0  0
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 14 16  2  0  0  0  0
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M  END
$$$$

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2023-06-12, 1772👍, 0💬