Molecule FYI-1006629

A

Molecule Summary:

ID: FYI-1006629
Names:
InChIKey: GRLQBHJHMAZZKJ-CMGAZVJYSA-N
SMILES: CCc5nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)CCc2ccccc2)C(C)Cc4cc3c(NCCCN(CC)CCO)cccc3cc4Cl)cs5

Received at FYIcenter.com on: 2024-01-06

Molecule ID: FYI-1006629 Edit

Molecule Structure InChIKey: GRLQBHJHMAZZKJ-CMGAZVJYSA-N

Molecule Structure SMILES String: CCc5nc(CN(C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C[C@H](O)CCc2ccccc2)C(C)Cc4cc3c(NCCCN(CC)CCO)cccc3cc4Cl)cs5

Download SDF Download SVG Structure in 2D SDF:

FYI-1006629
FYIcenter.com

 60 64  0  0  1  0  0  0  0  0999 V2000
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   22.8767   12.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9148   10.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5455   10.4923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6781    8.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6148    9.5710    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1245    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9121    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1245    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1245   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9121    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  3  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  1  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 20  1  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 31  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 18  1  0  0  0  0
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 59 58  1  0  0  0  0
 60 59  2  0  0  0  0
 60 55  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006629-3D
FYIcenter.com

123127  0  0  1  0  0  0  0  0999 V2000
    0.3811    1.4762   15.1936 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3737    2.9920   15.0745 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0053    3.4785   14.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2552    3.3581   13.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2554    2.4502   12.3752 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    2.5374   11.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5169    2.2816   11.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5068    2.9601   11.9146 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5060    1.2798   10.6910 N   0  0  0  0  0  0  0  0  0  0  0  0
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    9.8917    4.0568   13.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2024-01-15, 1218👍, 0💬