Molecule FYI-1003451

A

Molecule Summary:

ID: FYI-1003451
Names:
InChIKey: LGUMWSLSULWQNX-UHFFFAOYSA-N
SMILES: NC(=O)c3nc(CNCN(CNCc1cnc(O)c(C(N)=O)n1)CNCc2cnc(O)c(C(N)=O)n2)cnc3O

Received at FYIcenter.com on: 2023-06-19

Molecule ID: FYI-1003451 Edit

Molecule Structure InChIKey: LGUMWSLSULWQNX-UHFFFAOYSA-N

Molecule Structure SMILES String: NC(=O)c3nc(CNCN(CNCc1cnc(O)c(C(N)=O)n1)CNCc2cnc(O)c(C(N)=O)n2)cnc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003451
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
   18.1866    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   10.5000    0.0000 N   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
   14.5492    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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
    8.4871    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
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 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
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 25 23  1  0  0  0  0
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 27 25  2  0  0  0  0
 28 14  1  0  0  0  0
 29 28  1  0  0  0  0
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 31 30  1  0  0  0  0
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 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 34  1  0  0  0  0
 37 36  2  0  0  0  0
 37 31  1  0  0  0  0
 38 36  1  0  0  0  0
 39 38  1  0  0  0  0
 40 38  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003451-3D
FYIcenter.com

 67 69  0  0  0  0  0  0  0  0999 V2000
    5.5889    2.4024   -1.4500 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2421    4.6642    1.4459 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7904    5.9305    2.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
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 40 67  1  0  0  0  0
M  END
$$$$

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2023-07-01, 1934👍, 0💬