Molecule FYI-1004158

A

Molecule Summary:

ID: FYI-1004158
Names:
InChIKey: RSKNTCAOZGYHHM-UHFFFAOYSA-N
SMILES: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2F)NC3CCCCC3

Received at FYIcenter.com on: 2023-08-18

Molecule ID: FYI-1004158 Edit

Molecule Structure InChIKey: RSKNTCAOZGYHHM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2F)NC3CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004158
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   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
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    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
   14.5494    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6996    2.8000    0.0000 F   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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
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  6  5  1  0  0  0  0
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 17  7  1  0  0  0  0
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 27 26  1  0  0  0  0
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 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
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004158-3D
FYIcenter.com

 57 59  0  0  0  0  0  0  0  0999 V2000
    4.8181   -0.0658    0.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8851    0.4171    1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6939    1.1021    0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    2.1187    1.2551 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5024    2.0628    1.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6288    3.5225    1.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402    3.0972    2.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0334    3.4145    1.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    4.1648    0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3054    4.1297    1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7825    0.2475    2.6195 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-08-25, 2163👍, 0💬