-ISIS-  04261722012D

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    4.0208    0.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2458    0.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8792   -0.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9333    0.5833    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    2.1958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  4  1  1  0  0  0  0
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  7  3  2  0  0  0  0
 19 26  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
>  <ID> (STL503859)
STL503859

>  <Rotatable_Bonds> (STL503859)
5

>  <logP> (STL503859)
3.807

>  <PSA> (STL503859)
120.94

>  <H_Donors> (STL503859)
2

>  <H_Acceptors> (STL503859)
5

>  <Number_of_rings> (STL503859)
3

>  <Compound_Names> (STL503859)
6-{[4-(4-fluorophenyl)-3-(methoxycarbonyl)thiophen-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

>  <Mol_Weight> (STL503859)
403.43

>  <Mol_Formula> (STL503859)
C20H18FNO5S

>  <Smiles> (STL503859)
COC(=O)c1c(scc1c1ccc(cc1)F)NC(=O)C1CC=CCC1C(=O)O

$$$$