-ISIS-  08251614182D

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  2  1  1  0  0  0  0
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  4  1  1  0  0  0  0
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 23 24  2  0  0  0  0
 10 11  1  0  0  0  0
M  END
>  <ID> (STK524143)
STK524143

>  <Rotatable_Bonds> (STK524143)
5

>  <logP> (STK524143)
3.41

>  <PSA> (STK524143)
46.28

>  <H_Donors> (STK524143)
2

>  <H_Acceptors> (STK524143)
2

>  <Number_of_rings> (STK524143)
4

>  <NAME> (STK524143)
1-(3-methoxy-4-propoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline

>  <Mol_Weight> (STK524143)
336.43

>  <Mol_Formula> (STK524143)
C21H24N2O2

>  <Smiles> (STK524143)
CCCOc1ccc(cc1OC)C1NCCc2c1[nH]c1c2cccc1

$$$$