Molecule FYI-1003017

A

Molecule Summary:

ID: FYI-1003017
Names:
InChIKey: KXOJSCMWBARADF-UHFFFAOYSA-N
SMILES: CCCC(CCC)CCNc2c(F)c(SCc1ccc(C(=O)O)cc1)c(F)c(F)c2S(N)(=O)=O

Received at FYIcenter.com on: 2023-05-06

Molecule ID: FYI-1003017 Edit

Molecule Structure InChIKey: KXOJSCMWBARADF-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCC(CCC)CCNc2c(F)c(SCc1ccc(C(=O)O)cc1)c(F)c(F)c2S(N)(=O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003017
FYIcenter.com

 34 35  0  0  0  0  0  0  0  0999 V2000
    8.4871    9.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   10.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.3373   10.3124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 34 33  2  0  0  0  0
 34 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003017-3D
FYIcenter.com

 63 64  0  0  0  0  0  0  0  0999 V2000
    4.2873    0.0048    7.7548 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9222    1.1871    6.8712 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5787    1.1420    5.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2520   -0.0832    4.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7298   -0.1899    4.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2849   -1.3764    3.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6244   -2.7327    4.0482 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0318   -0.0075    3.2579 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5555    0.0700    3.3674 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156   -1.0857    4.0623 N   0  0  0  0  0  0  0  0  0  0  0  0
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   10.8031   -0.2942    4.1616 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9479    0.9650    3.5999 S   0  0  0  0  0  0  0  0  0  0  0  0
   11.3819    2.4032    4.5679 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7510    5.6392    3.0533 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7219    7.0871    3.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3163    7.5926    4.6475 O   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-05-31, 2216👍, 0💬