Molecule FYI-1005611

A

Molecule Summary:

ID: FYI-1005611
Names:
InChIKey: VYKCLMALANGCDF-STQMWFEESA-N
SMILES: CCC(CC)c3cc(N[C@H]1CC[C@H](N)C1)n2nccc2n3

Received at FYIcenter.com on: 2023-11-07

Molecule ID: FYI-1005611 Edit

Molecule Structure InChIKey: VYKCLMALANGCDF-STQMWFEESA-N

Molecule Structure SMILES String: CCC(CC)c3cc(N[C@H]1CC[C@H](N)C1)n2nccc2n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005611
FYIcenter.com

 21 23  0  0  1  0  0  0  0  0999 V2000
    7.0193    5.7338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7762    7.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4606    7.5913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2175    8.9701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9019    9.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3881    6.6914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0725    7.1702    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0001    6.2704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6138    6.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2433    4.8916    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5588    4.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8019    3.0341    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175    2.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5034    1.2095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  6  2  0  0  0  0
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  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 13 12  1  0  0  0  0
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 20 15  1  0  0  0  0
 21 13  2  0  0  0  0
 21  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005611-3D
FYIcenter.com

 46 48  0     1  0  0  0  0  0999 V2000
    1.5512    0.9453    0.1825 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0457   -1.6605    0.8725 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6710    1.7517    0.0237 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6032    0.3138   -0.0488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3637    3.0799    0.0014 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5695   -0.0716    0.2711 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8836    0.5112    0.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9568   -0.3824    0.1698 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8985   -0.6713   -1.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4200   -0.5788   -1.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2162    0.6663    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3623   -2.0787    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7785   -0.6880    0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2922   -0.5768    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1312   -2.3026   -1.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  6  1  0  0  0  0
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  2  8  1  0  0  0  0
  2 31  1  0  0  0  0
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  3  5  1  0  0  0  0
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  3 17  1  0  0  0  0
  4 13  2  0  0  0  0
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 15 18  1  0  0  0  0
 15 35  1  0  0  0  0
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 20 21  1  0  0  0  0
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 21 46  1  0  0  0  0
M  END
$$$$

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2023-11-13, 2643👍, 0💬