COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL461175
Chemical Name: 3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-4,8-dimethyl-7-[(3,4,5-trimethoxybenzyl)oxy]-2H-chromen-2-one
Smiles: COc1cc(COc2ccc3c(c2C)oc(=O)c(c3C)CC(=O)N2CCC3(C(C2)CCCC3)O)cc(c1OC)OC

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Molecular Weight: 565.66
Empirical Formula: C32H39NO8

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.814
Rotatable bonds: 7
H-donors: 1
H-acceptors: 8
PSA: 103
Number of rings: 5

     

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