COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL345213
Chemical Name: 2-(3,5-dimethylphenoxy)-1-[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]ethanone
Smiles: COc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)COc1cc(C)cc(c1)C

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Molecular Weight: 423.55
Empirical Formula: C26H33NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.647
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 4

     

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