Molecule FYI-1002452

A

Molecule Summary:

ID: FYI-1002452
Names:
InChIKey: XJOLRAVQCKHOFH-LADGPHEKSA-N
SMILES: COc1cc(N)c(Cl)cc1C(=O)N[C@H]3CCN(CCCOc2ccc(F)cc2)C[C@@]3(C)OC

Received at FYIcenter.com on: 2023-03-26

Molecule ID: FYI-1002452 Edit

Molecule Structure InChIKey: XJOLRAVQCKHOFH-LADGPHEKSA-N

Molecule Structure SMILES String: COc1cc(N)c(Cl)cc1C(=O)N[C@H]3CCN(CCCOc2ccc(F)cc2)C[C@@]3(C)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1002452
FYIcenter.com

 33 35  0  0  0  0  0  0  0  0999 V2000
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 31 26  1  0  0  0  0
 32 29  1  0  0  0  0
  3 33  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002452-3D
FYIcenter.com

 64 66  0  0  1  0  0  0  0  0999 V2000
    6.4230   -0.5983   -7.4961 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-04-05, 1246👍, 0💬