COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK584334
Chemical Name: (1R,4aS,8aS)-1-(3-ethoxy-4-hydroxyphenyl)-2-(2-fluorobenzyl)octahydroisoquinolin-4a(2H)-ol
Smiles: CCOc1cc(ccc1O)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)Cc1ccccc1F

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Molecular Weight: 399.51
Empirical Formula: C24H30FNO3

Physical State: Dry powder
Available Amount: 226 mg

Lipinsky:
logP: 3.547
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 52
Number of rings: 4

     

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