COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL104219
Chemical Name: 4-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(3-methoxyphenyl)isoquinolin-1(2H)-one
Smiles: COc1cccc(c1)n1cc(c2onc(n2)c2ccc3c(c2)OCO3)c2c(c1=O)cccc2

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Molecular Weight: 439.43
Empirical Formula: C25H17N3O5

Physical State: Dry powder
Available Amount: 36 mg

Lipinsky:
logP: 4.687
Rotatable bonds: 3
H-donors: 0
H-acceptors: 5
PSA: 86
Number of rings: 6

     

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