COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL104241
Chemical Name: 2-(4-ethoxyphenyl)-4-{3-[4-(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl}isoquinolin-1(2H)-one
Smiles: CCOc1ccc(cc1)n1cc(c2onc(n2)c2ccc(cc2)SC)c2c(c1=O)cccc2

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Molecular Weight: 455.54
Empirical Formula: C26H21N3O3S

Physical State: Dry powder
Available Amount: 50 mg

Lipinsky:
logP: 6.651
Rotatable bonds: 2
H-donors: 0
H-acceptors: 3
PSA: 93
Number of rings: 5

     

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