COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL511394
Chemical Name: [(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl][4-(pentyloxy)phenyl]methanone
Smiles: CCCCCOc1ccc(cc1)C(=O)N1CC[C@@]2([C@H](C1)CCCC2)O

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Molecular Weight: 345.48
Empirical Formula: C21H31NO3

Physical State: Dry powder
Available Amount: 30 mg

Lipinsky:
logP: 4.174
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 49
Number of rings: 3

     

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