-ISIS-  08251614012D

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    3.0875    1.2167    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4625    2.5750    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8667    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  2  1  2  0  0  0  0
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  4  2  1  0  0  0  0
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  6  3  1  0  0  0  0
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  4 14  1  0  0  0  0
 10 22  2  0  0  0  0
M  END
>  <ID> (STK169681)
STK169681

>  <Rotatable_Bonds> (STK169681)
3

>  <logP> (STK169681)
3.38

>  <PSA> (STK169681)
47.56

>  <H_Donors> (STK169681)
1

>  <H_Acceptors> (STK169681)
3

>  <Number_of_rings> (STK169681)
3

>  <NAME> (STK169681)
6,7-dimethoxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydroquinolin-2(1H)-one

>  <Mol_Weight> (STK169681)
351.33

>  <Mol_Formula> (STK169681)
C18H16F3NO3

>  <Smiles> (STK169681)
COc1cc2NC(=O)CC(c2cc1OC)c1cccc(c1)C(F)(F)F

$$$$