COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006076
Chemical Name: 1,3-dimethyl-7-(4-methylbenzyl)-8-(propylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCSc1nc2c(n1Cc1ccc(cc1)C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 358.46
Empirical Formula: C18H22N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.639
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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