COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546182
Chemical Name: (1R,4aS,8aS)-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Smiles: COc1cc(cc(c1OC)OC)[C@@H]1NCC[C@@]2([C@H]1CCCC2)O

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Saltdata: HCl
Molecular Weight: 321.42
Empirical Formula: C18H27NO4

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 1.988
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 59
Number of rings: 3

     

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