COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548946
Chemical Name: 2-[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-N-(4-methoxyphenyl)acetamide
Smiles: COc1ccc(cc1)NC(=O)CN1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)CCCC2)O

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Molecular Weight: 438.52
Empirical Formula: C25H30N2O5

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.789
Rotatable bonds: 2
H-donors: 2
H-acceptors: 5
PSA: 80
Number of rings: 5

     

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