Molecule FYI-1014507

A

Molecule Summary:

ID: FYI-1014507
Names:
InChIKey: WSDPOCNRABWTAY-AJSBUHFISA-N
SMILES: CC(=O)N[C@@H]4C[C@H](c3ccc(NC(=O)Cn2nnc1ccccc12)cc3)O[C@H](C(C)C)C4

Received at FYIcenter.com on: 2025-04-23

Molecule ID: FYI-1014507 Edit

Molecule Structure InChIKey: WSDPOCNRABWTAY-AJSBUHFISA-N

Molecule Structure SMILES String: CC(=O)N[C@@H]4C[C@H](c3ccc(NC(=O)Cn2nnc1ccccc12)cc3)O[C@H](C(C)C)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014507
FYIcenter.com

 32 35  0  0  1  0  0  0  0  0999 V2000
   13.3368    7.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4831    6.3077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5464    5.2672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.2852    4.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8526    6.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    7.2290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6157    8.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  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
  8  7  2  0  0  0  0
  9  8  1  1  0  0  0
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 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
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 16 17  1  1  0  0  0
 18 17  1  0  0  0  0
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 21 16  1  0  0  0  0
 21  9  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  2  0  0  0  0
 23  5  1  0  0  0  0
 24  3  2  0  0  0  0
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 30 25  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014507-3D
FYIcenter.com

 61 64  0  0  1  0  0  0  0  0999 V2000
    0.9603   -0.2770    1.6054 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4410   -0.4290    1.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9292   -1.2695    2.5852 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984    0.4627    1.1055 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6588    0.4779    1.1553 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.1747    1.4370    2.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6987    1.6065    2.1258 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2397    2.6541    3.0903 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1631    2.3082    4.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6614    3.2682    4.9897 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2427    4.5983    4.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6744    5.6256    5.7939 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5123    5.5092    6.8906 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0175    4.4663    7.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8967    6.8225    7.5277 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7852    7.6112    8.0277 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1825    8.4448    7.1467 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9333    9.5796    7.7878 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2523    9.4028    9.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2518   10.3069   10.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5757    9.8313   11.4543 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8688    8.4801   11.6596 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9361    7.5752   10.5893 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7181    1.0179   -0.2018 C   0  0  2  0  0  0  0  0  0  0  0  0
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  1  2  1  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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2025-05-12, 1371👍, 0💬