Molecule FYI-1007773

A

Molecule Summary:

ID: FYI-1007773
Names:
InChIKey: XEEQGYMUWCZPDN-DOMZBBRYSA-N
SMILES: O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]3CCCCN3

Received at FYIcenter.com on: 2024-03-15

Molecule ID: FYI-1007773 Edit

Molecule Structure InChIKey: XEEQGYMUWCZPDN-DOMZBBRYSA-N

Molecule Structure SMILES String: O[C@@H](c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)[C@H]3CCCCN3

Download SDF Download SVG Structure in 2D SDF:

FYI-1007773
FYIcenter.com

 26 28  0  0  1  0  0  0  0  0999 V2000
    6.2497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5  4  1  6  0  0  0
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 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
  7 26  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007773-3D
FYIcenter.com

 42 44  0     1  0  0  0  0  0999 V2000
    0.1466    3.9096    0.2339 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3325    3.4312   -1.2786 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9273    3.5939    0.8067 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8228   -1.8912   -0.6803 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4788   -0.0338    0.3855 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8618   -0.2229   -1.6911 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4329   -0.0203    2.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9093   -0.6918   -1.1143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7180    0.8279   -0.0291 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2197   -0.1332    0.2078 C   0  0  2  0  0  0  0  0  0  0  0  0
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    2.1379   -0.5618    1.1977 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6848   -0.2502   -0.3316 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3052   -0.7633   -1.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9050   -0.3013   -2.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5764    1.2508    0.5920 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2106   -3.4603   -0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
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  9 19  1  0  0  0  0
  9 20  2  0  0  0  0
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 10 27  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 29  1  0  0  0  0
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 14 33  1  0  0  0  0
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 17 21  1  0  0  0  0
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 22 26  1  0  0  0  0
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 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 154👍, 0💬