Molecule FYI-1004271

A

Molecule Summary:

ID: FYI-1004271
Names:
InChIKey: XDVVCOBIEUNDAC-UHFFFAOYSA-N
SMILES: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2)NC3CCCCC3

Received at FYIcenter.com on: 2023-08-24

Molecule ID: FYI-1004271 Edit

Molecule Structure InChIKey: XDVVCOBIEUNDAC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2)NC3CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004271
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  2  0  0  0  0
 13  8  1  0  0  0  0
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 14  4  1  0  0  0  0
 15  2  1  0  0  0  0
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 19 18  1  0  0  0  0
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004271-3D
FYIcenter.com

 57 59  0  0  0  0  0  0  0  0999 V2000
    4.5373   -1.0483    0.5618 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5104   -1.4275    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8785   -0.5827   -1.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9863   -1.1768   -2.1590 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5807   -1.0520   -2.1778 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5513   -0.6400   -0.8079 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.6636   -1.6027   -3.3433 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-07, 2399👍, 0💬