Molecule FYI-1003140

A

Molecule Summary:

ID: FYI-1003140
Names:
InChIKey: LOUPRKONTZGTKE-LHHVKLHASA-O
SMILES: C=CC1CN2CCC1CC2C(O)c3ccnc4ccc([OH+]C)cc34

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

Molecule ID: FYI-1003140 Edit

Molecule Structure InChIKey: LOUPRKONTZGTKE-LHHVKLHASA-O

Molecule Structure SMILES String: C=CC1CN2CCC1CC2C(O)c3ccnc4ccc([OH+]C)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1003140
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  3  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
    4.7995    8.9302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6443    9.5972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5722    4.9579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6884    4.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6923    3.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7995    2.2608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6530    4.8457    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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 22 23  2  3  0  0  0
 13 24  1  0  0  0  0
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  4 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 30  1  0  0  0  0
 11 31  1  0  0  0  0
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 13 33  1  6  0  0  0
 14 34  1  1  0  0  0
 15 35  1  0  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 40  1  0  0  0  0
 18 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 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-1003140-3D
FYIcenter.com

 49 52  0     1  0  0  0  0  0999 V2000
   -0.6423    1.4205   -2.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6924   -3.0169   -0.2872 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6878    0.6980    0.9669 N   0  3  2  0  0  0  0  0  0  0  0  0
    2.9729    2.4309    0.6101 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9090   -0.0935    0.0019 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.0894    0.6498   -1.0732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0983   -1.2992    0.5365 C   0  0  2  0  0  0  0  0  0  0  0  0
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   -4.1422    0.8762    1.1774 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.4101   -3.6306   -0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2 22  1  0  0  0  0
  2 24  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 25  1  0  0  0  0
  4 18  2  0  0  0  0
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  6 27  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  1  0  0  0  0
  8 30  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
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 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
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 13 15  2  0  0  0  0
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 14 16  2  0  0  0  0
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 15 40  1  0  0  0  0
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 18 21  1  0  0  0  0
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 21 23  2  0  0  0  0
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 22 23  1  0  0  0  0
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 24 49  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 2351👍, 0💬