COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545787
Chemical Name: methyl3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}-3-{4-[(2-methylprop-2-en-1-yl)oxy]phenyl}propanoate
Smiles: COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1ccc(cc1)OCC(=C)C

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Molecular Weight: 549.62
Empirical Formula: C31H35NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.581
Rotatable bonds: 11
H-donors: 1
H-acceptors: 8
PSA: 103
Number of rings: 4

     

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