-ISIS-  04031619442D

 13 14  0  0  0  0  0  0  0  0999 V2000
    0.0000   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    0.5042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7250   -0.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -1.0042    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8625    0.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375    0.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8583    1.5083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7292   -1.0042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5958   -1.5042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6000    0.4958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  1  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  1  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  2  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12  6  1  0  0  0  0
 13  9  1  0  0  0  0
 11  8  2  0  0  0  0
  6  3  1  0  0  0  0
M  END
>  <ID> (STK183349)
STK183349

>  <Supplier> (STK183349)
VitasMLaboratory, Ltd

>  <collection> (STK183349)
HTS-Compound

>  <Rotatable_Bonds> (STK183349)
1

>  <logP> (STK183349)
1.581

>  <PSA> (STK183349)
32.26

>  <H_Donors> (STK183349)
2

>  <H_Acceptors> (STK183349)
1

>  <Number_of_rings> (STK183349)
2

>  <NAME> (STK183349)
2,6-dimethyl-1,2,3,4-tetrahydroquinolin-4-ol

>  <Mol_Weight> (STK183349)
177.25

>  <Mol_Formula> (STK183349)
C11H15NO

>  <Smiles> (STK183349)
CC1CC(O)c2c(N1)ccc(c2)C

$$$$