COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL549269
Chemical Name: 1-[(1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-2-phenylethanone
Smiles: COc1ccc(cc1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)Cc1ccccc1

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Molecular Weight: 379.5
Empirical Formula: C24H29NO3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.075
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 49
Number of rings: 4

     

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