COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK079794
Chemical Name: 7-(4-chlorobenzyl)-8-[(2-hydroxyethyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 380.85
Empirical Formula: C16H17ClN4O3S

Physical State: Dry powder
Available Amount: 502 mg

Lipinsky:
logP: 3.084
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 103
Number of rings: 3

     

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