COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL104231
Chemical Name: 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(4-ethoxyphenyl)isoquinolin-1(2H)-one
Smiles: CCOc1ccc(cc1)n1cc(c2onc(n2)c2ccc3c(c2)OCO3)c2c(c1=O)cccc2

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Molecular Weight: 453.45
Empirical Formula: C26H19N3O5

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 5.218
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 86
Number of rings: 6

     

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