COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL545848
Chemical Name: methyl3-(1,3-benzodioxol-5-yl)-3-{6-[(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-3-hydroxy-4-oxo-4H-pyran-2-yl}propanoate
Smiles: COC(=O)CC(c1oc(CN2CCc3c(C2)cc(c(c3)OC)OC)cc(=O)c1O)c1ccc2c(c1)OCO2

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Molecular Weight: 523.54
Empirical Formula: C28H29NO9

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.169
Rotatable bonds: 10
H-donors: 1
H-acceptors: 9
PSA: 112
Number of rings: 5

     

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