COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546856
Chemical Name: 1-[(1R,4aS,8aS)-4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]butan-1-one
Smiles: CCCC(=O)N1CC[C@@]2([C@H]([C@@H]1c1ccc(cc1)OC)CCCC2)O

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Molecular Weight: 331.46
Empirical Formula: C20H29NO3

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.409
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 49
Number of rings: 3

     

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