COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL461172
Chemical Name: 3-[2-(4a-hydroxyoctahydroisoquinolin-2(1H)-yl)-2-oxoethyl]-7-[(4-methoxybenzyl)oxy]-4-methyl-2H-chromen-2-one
Smiles: COc1ccc(cc1)COc1ccc2c(c1)oc(=O)c(c2C)CC(=O)N1CCC2(C(C1)CCCC2)O

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Molecular Weight: 491.58
Empirical Formula: C29H33NO6

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.831
Rotatable bonds: 5
H-donors: 1
H-acceptors: 6
PSA: 85
Number of rings: 5

     

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