Molecule FYI-1003418

A

Molecule Summary:

ID: FYI-1003418
Names:
InChIKey: KGGWETZAVYXMAB-UHFFFAOYSA-N
SMILES: OC(=NCC2CNCc1ccccc12)c4ccc(c3ccccc3)c(Cl)c4

Received at FYIcenter.com on: 2023-06-15

Molecule ID: FYI-1003418 Edit

Molecule Structure InChIKey: KGGWETZAVYXMAB-UHFFFAOYSA-N

Molecule Structure SMILES String: OC(=NCC2CNCc1ccccc12)c4ccc(c3ccccc3)c(Cl)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003418
FYIcenter.com

 48 51  0  0  0  0  0  0  0  0999 V2000
    1.1602    2.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   19.2355    5.5464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4799    4.2487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2397    3.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5930    1.3174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19 46  1  0  0  0  0
 25 47  1  0  0  0  0
 27 48  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003418-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    1.1364   -0.0414    0.0151 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4764    0.0007   -0.1149 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240    0.9089   -0.7470 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3740    2.0153   -1.3309 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2897    4.5697   -1.6966 N   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-07-01, 1925👍, 0💬