COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL531802
Chemical Name: 2-[(1R,4aS,8aS)-1-[4-(diethylamino)phenyl]-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-1-(pyrrolidin-1-yl)ethanone
Smiles: CCN(c1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)CC(=O)N1CCCC1)CC

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Saltdata: HCl
Molecular Weight: 413.6
Empirical Formula: C25H39N3O2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.941
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 47
Number of rings: 4

     

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