COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL547643
Chemical Name: methyl3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-5-methylhexanoate
Smiles: COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)CC(C)C

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Molecular Weight: 459.54
Empirical Formula: C25H33NO7

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.271
Rotatable bonds: 11
H-donors: 1
H-acceptors: 7
PSA: 94
Number of rings: 3

     

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