Molecule FYI-1006047

A

Molecule Summary:

ID: FYI-1006047
Names:
InChIKey: MFZKTINXWPQHBG-UHFFFAOYSA-N
SMILES: CC(C)c3cc(C(=O)N2Cc1ccccc1C2)c(O)c4cnoc34

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006047 Edit

Molecule Structure InChIKey: MFZKTINXWPQHBG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c3cc(C(=O)N2Cc1ccccc1C2)c(O)c4cnoc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006047
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.0621    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845    1.2790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9538    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3463    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.5158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    2.2235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.5903    1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8903    0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    0.7199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    4.1852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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 24 19  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006047-3D
FYIcenter.com

 42 45  0     0  0  0  0  0  0999 V2000
   -4.2628   -0.0424   -1.1124 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5449   -1.3090    2.6203 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5358   -2.6827   -0.2431 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7216   -0.3199    0.8760 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3918   -1.2169   -1.8437 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0493   -0.5043    1.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7991    0.2918   -0.4630 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9832    0.0006    0.4265 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2663    0.4546   -0.6874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6235    0.9178    0.4451 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5749   -0.7516    1.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3458    2.1951    0.6983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7071   -0.5379    0.8395 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3985    0.6565    1.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1011   -0.0761   -0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4458   -1.2691   -0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3653    0.0528    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9159    0.9711   -1.7943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7214    1.9754    1.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
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  3 17  1  0  0  0  0
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  4  6  1  0  0  0  0
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  6  8  1  0  0  0  0
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  7 28  1  0  0  0  0
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  8 18  2  0  0  0  0
  9 19  2  0  0  0  0
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 22 23  2  0  0  0  0
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 24 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1512👍, 0💬