COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL546092
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-(4-hydroxy-3,5-dimethoxyphenyl)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)O

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Molecular Weight: 721.76
Empirical Formula: C38H43NO13

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.714
Rotatable bonds: 14
H-donors: 2
H-acceptors: 13
PSA: 160
Number of rings: 5

     

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