COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK867873
Chemical Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 392.87
Empirical Formula: C17H17ClN4O3S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 3.478
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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