Molecule FYI-1006803

A

Molecule Summary:

ID: FYI-1006803
Names:
InChIKey: APDNKQYJHZKYRC-CTNGQTDRSA-N
SMILES: COc2ccc(CCNC(=O)[C@@H](N)CC[C@@H](Cl)CNCc1ccccc1)cc2

Received at FYIcenter.com on: 2024-01-18

Molecule ID: FYI-1006803 Edit

Molecule Structure InChIKey: APDNKQYJHZKYRC-CTNGQTDRSA-N

Molecule Structure SMILES String: COc2ccc(CCNC(=O)[C@@H](N)CC[C@@H](Cl)CNCc1ccccc1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006803
FYIcenter.com

 54 55  0  0  1  0  0  0  0  0999 V2000
   21.8238    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8238    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7615    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.6113    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   19.3989    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.2000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  6  0  0  0
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
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 26 13  2  0  0  0  0
 12 27  1  1  0  0  0
 15 28  2  0  0  0  0
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  5 29  1  0  0  0  0
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  3 31  1  0  0  0  0
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 23 53  1  0  0  0  0
  8 54  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006803-3D
FYIcenter.com

 58 59  0  0  1  0  0  0  0  0999 V2000
    2.4660   -1.0919    0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0147   -0.8504    1.5005 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6609    0.3418    1.6801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8240    1.3379    0.7184 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5209    6.2923    3.4968 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7884    7.3488    4.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
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  7  8  1  0  0  0  0
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M  END
$$$$

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2024-01-24, 231👍, 0💬