COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK056438
Chemical Name: 8-(1,3-benzodioxol-5-ylmethoxy)-1-(2-chlorobenzyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(=O)n(C)c2c(c1=O)n(C)c(n2)OCc1ccc2c(c1)OCO2

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Molecular Weight: 454.87
Empirical Formula: C22H19ClN4O5

Physical State: Dry powder
Available Amount: 65 mg

Lipinsky:
logP: 4.77
Rotatable bonds: 5
H-donors: 0
H-acceptors: 5
PSA: 86
Number of rings: 5

     

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