Molecule FYI-1006292

A

Molecule Summary:

ID: FYI-1006292
Names:
InChIKey: GACAOIKPNDQHIU-UHFFFAOYSA-N
SMILES: O=C4CCC(n3c(=O)c2ccc(CNC(=O)Nc1ccc(Cl)cc1)cc2c3=O)C(=O)N4

Received at FYIcenter.com on: 2023-12-08

Molecule ID: FYI-1006292 Edit

Molecule Structure InChIKey: GACAOIKPNDQHIU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C4CCC(n3c(=O)c2ccc(CNC(=O)Nc1ccc(Cl)cc1)cc2c3=O)C(=O)N4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006292
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   15.3953   11.2655    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.1829   10.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9705   11.2655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7580   10.5655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7580    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5456    8.4655    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3332    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2709    8.4655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.1829    9.1655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 23 21  1  0  0  0  0
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 26 17  1  0  0  0  0
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 28 26  1  0  0  0  0
 28 14  1  0  0  0  0
 29 28  2  0  0  0  0
 29 11  1  0  0  0  0
 30  5  1  0  0  0  0
 31 30  2  0  0  0  0
 31  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006292-3D
FYIcenter.com

 48 51  0     1  0  0  0  0  0999 V2000
    8.4106    3.6571   -0.0683 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4524    2.2565    0.9016 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0525    0.2182   -2.3356 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8216   -0.9860    1.7735 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3711   -0.7682   -1.4488 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2868   -0.1487   -0.3630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7429    2.2845    0.6856 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0329   -2.4632    0.0871 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7059   -0.9354    0.4751 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4446    0.6646   -0.6235 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -1.2917   -1.1957   -0.5922 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8216   -1.5561    0.6381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9703    1.8709    0.1772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0737   -1.6730   -1.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0740   -2.9103    1.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.2828    2.7392   -1.7539 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 31  1  0  0  0  0
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  7 11  1  0  0  0  0
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 30 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-17, 352👍, 0💬