Molecule FYI-1010471

A

Molecule Summary:

ID: FYI-1010471
Names:
InChIKey: UHBBBQHKVVATAJ-UHFFFAOYSA-N
SMILES: C#CCn6c(c1ccc(Cl)c(Cl)c1)c(n3nnc2cc(F)c(F)cc23)c(=O)n(c4cncc5ccccc45)c6=O

Received at FYIcenter.com on: 2024-06-05

Molecule ID: FYI-1010471 Edit

Molecule Structure InChIKey: UHBBBQHKVVATAJ-UHFFFAOYSA-N

Molecule Structure SMILES String: C#CCn6c(c1ccc(Cl)c(Cl)c1)c(n3nnc2cc(F)c(F)cc23)c(=O)n(c4cncc5ccccc45)c6=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1010471
FYIcenter.com

 40 45  0  0  0  0  0  0  0  0999 V2000
   12.6618    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8121   12.5999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.5996   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3872   11.1999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   10.2369    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4494    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0245    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2369    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  2  0  0  0  0
 13  6  1  0  0  0  0
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 38 33  2  0  0  0  0
 39 28  1  0  0  0  0
 39  4  1  0  0  0  0
 40 39  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010471-3D
FYIcenter.com

 54 59  0  0  0  0  0  0  0  0999 V2000
    2.8954    2.5377   -0.8692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3307    1.4666   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9549    0.2401   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3877   -0.7541   -1.0291 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0860   -2.1348   -0.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8021   -2.7670    0.5272 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2812   -4.0728    0.6966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7375   -4.5463    1.9014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8217   -3.7801    3.0504 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0722   -4.3735    4.4852 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.5362   -2.5924    2.9919 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8127   -1.6213    4.3948 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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   -2.2758   -3.7888   -2.9588 F   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.3495   -2.4104   -0.7976 F   0  0  0  0  0  0  0  0  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
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  8  9  1  0  0  0  0
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  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
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 29 30  1  0  0  0  0
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 37 54  1  0  0  0  0
 39 40  2  0  0  0  0
M  END
$$$$

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2024-06-30, 1118👍, 0💬