COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548836
Chemical Name: methyl3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-[3-(hydroxymethyl)-4-methoxyphenyl]propanoate
Smiles: COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1ccc(c(c1)CO)OC

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Molecular Weight: 539.58
Empirical Formula: C29H33NO9

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.039
Rotatable bonds: 13
H-donors: 2
H-acceptors: 9
PSA: 123
Number of rings: 4

     

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