Molecule FYI-1009461

A

Molecule Summary:

ID: FYI-1009461
Names:
InChIKey: BGASBBLIZBBJGO-UHFFFAOYSA-N
SMILES: CNC(=O)c4ccc(C#Cc3cnn(CC(O)(Cn1cncn1)c2cc(F)ccc2F)c3)cc4

Received at FYIcenter.com on: 2024-05-10

Molecule ID: FYI-1009461 Edit

Molecule Structure InChIKey: BGASBBLIZBBJGO-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC(=O)c4ccc(C#Cc3cnn(CC(O)(Cn1cncn1)c2cc(F)ccc2F)c3)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009461
FYIcenter.com

 34 37  0  0  0  0  0  0  0  0999 V2000
    9.3192    9.3826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3192   10.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5316   11.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5316   12.8826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3990   13.7055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8316   15.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2316   15.0369    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.6642   13.7055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1066   11.4826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8942   10.7826    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6153   11.3520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6784   10.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.9564    8.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7440    7.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5316    8.6826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3192    7.9826    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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 33 27  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009461-3D
FYIcenter.com

 54 57  0  0  1  0  0  0  0  0999 V2000
    1.0834    0.1281    0.2056 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    0.1252    0.2328 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2283   -0.8533    0.9065 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6954   -1.7841    1.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7172   -0.7413    0.8565 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3581    0.4996    0.7486 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7566    0.5733    0.7115 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5286   -0.5889    0.7869 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9620   -0.5025    0.6960 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1507   -0.4665    0.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5448   -0.5418    0.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4415    0.4498   -0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6480   -0.0586   -0.5064 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4752   -1.3897   -0.3378 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4807   -2.3465   -0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2434   -1.9457   -2.0988 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.0857   -0.8011   -1.8340 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2024   -3.0707   -2.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2121   -3.4560   -1.6182 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.4895   -3.0009   -1.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1069   -3.6442   -0.5526 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1524   -4.5089   -0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9751   -4.4407   -0.7299 N   0  0  0  0  0  0  0  0  0  0  0  0
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 20 47  1  0  0  0  0
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 22 48  1  0  0  0  0
 24 25  1  0  0  0  0
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 34 54  1  0  0  0  0
M  END
$$$$

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2024-05-15, 1543👍, 0💬