Molecule FYI-1009198

A

Molecule Summary:

ID: FYI-1009198
Names:
InChIKey: OSJMDISWLICPKR-UHFFFAOYSA-N
SMILES: CC#CCn1c(Br)nc4c1c(=O)n(Cc3cn(c2cccc(C(F)(F)F)c2)nn3)c(=O)n4C

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009198 Edit

Molecule Structure InChIKey: OSJMDISWLICPKR-UHFFFAOYSA-N

Molecule Structure SMILES String: CC#CCn1c(Br)nc4c1c(=O)n(Cc3cn(c2cccc(C(F)(F)F)c2)nn3)c(=O)n4C

Download SDF Download SVG Structure in 2D SDF:

FYI-1009198
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
   10.4690   10.6043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2566    8.5043    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0440    9.2043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8316    8.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5527    9.0737    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6158    8.0334    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3158    6.8210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8938    9.2043    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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 20  3  1  0  0  0  0
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 25 24  1  0  0  0  0
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 31 30  1  0  0  0  0
 31 22  2  0  0  0  0
 32 31  1  0  0  0  0
 32  2  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009198-3D
FYIcenter.com

 48 51  0     0  0  0  0  0  0999 V2000
    6.3668   -2.3109   -1.7898 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -7.5142   -1.0718   -1.1518 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2047   -2.3090    0.0559 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1222   -0.5362    0.9185 F   0  0  0  0  0  0  0  0  0  0  0  0
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    2.1222    3.6587   -0.0493 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1565    1.5634    1.0064 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5843    2.0601   -0.8859 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3194   -1.2481   -0.0003 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6197   -0.0922    0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1536   -1.0335   -1.0669 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2057   -2.4658    0.7688 C   0  0  0  0  0  0  0  0  0  0  0  0
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 32 33  1  0  0  0  0
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 33 48  1  0  0  0  0
M  END
$$$$

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2024-05-22, 1458👍, 0💬