COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548049
Chemical Name: 1-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-phenylethanone
Smiles: COc1cc(ccc1OC)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)Cc1ccccc1

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Molecular Weight: 409.53
Empirical Formula: C25H31NO4

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.896
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 4

     

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