Molecule FYI-1002331

A

Molecule Summary:

ID: FYI-1002331
Names:
InChIKey: ODLIEMAGBVISRY-UHFFFAOYSA-N
SMILES: Cc5ccc(c3nnc4ccc(N2CCC(C(=O)NCCCN1CCCCC1)CC2)nn34)cc5

Received at FYIcenter.com on: 2023-02-27

Molecule ID: FYI-1002331 Edit

Molecule Structure InChIKey: ODLIEMAGBVISRY-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc5ccc(c3nnc4ccc(N2CCC(C(=O)NCCCN1CCCCC1)CC2)nn34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1002331
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0932    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.9161    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0932    2.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5259    3.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8952    4.1552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3278    5.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3911    6.5271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0216    6.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5890    4.9045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2125    2.1000    0.0000 C   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  3  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
  7  3  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
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 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 18  4  1  0  0  0  0
 19 18  2  0  0  0  0
 19  1  1  0  0  0  0
 20  1  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002331-3D
FYIcenter.com

 69 73  0     0  0  0  0  0  0999 V2000
   -3.2158    3.4696   -1.1832 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4629    2.3941   -0.1801 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.1152    2.4297    0.6953 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5885    0.8077   -0.0694 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7292    1.2961   -0.1016 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5948   -0.0741   -0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
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 34 69  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 1274👍, 0💬