COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL538274
Chemical Name: 1-[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-phenylpropan-1-one
Smiles: COc1ccc(c(c1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)CCc1ccccc1)OC

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Molecular Weight: 423.55
Empirical Formula: C26H33NO4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.534
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 59
Number of rings: 4

     

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