Molecule FYI-1003016

A

Molecule Summary:

ID: FYI-1003016
Names:
InChIKey: QVEBOLLXVWFVHJ-UHFFFAOYSA-N
SMILES: CCCC(CCC)CCNc2c(F)c(SCc1ccc(C(=O)OC)cc1)c(F)c(F)c2S(N)(=O)=O

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

Molecule ID: FYI-1003016 Edit

Molecule Structure InChIKey: QVEBOLLXVWFVHJ-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1003016
FYIcenter.com

 35 36  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
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    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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   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 35 34  2  0  0  0  0
 35 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003016-3D
FYIcenter.com

 66 67  0  0  0  0  0  0  0  0999 V2000
    4.2665   -7.2404   -3.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9146   -6.9252   -1.7489 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488   -5.6340   -1.2260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996   -4.3145   -1.9633 C   0  0  0  0  0  0  0  0  0  0  0  0
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   17.7336   -2.7269    2.4754 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2153   -1.6585    2.8158 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, 1865👍, 0💬