COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL548474
Chemical Name: methyl3-(6-{[6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]methyl}-3-hydroxy-4-oxo-4H-pyran-2-yl)-3-(3,4,5-trimethoxyphenyl)propanoate
Smiles: COC(=O)CC(c1oc(CN2CCc3c(C2c2cc(OC)c(c(c2)OC)OC)cc(c(c3)OC)OC)cc(=O)c1O)c1cc(OC)c(c(c1)OC)OC

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Molecular Weight: 735.79
Empirical Formula: C39H45NO13

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 4.599
Rotatable bonds: 13
H-donors: 1
H-acceptors: 13
PSA: 149
Number of rings: 5

     

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