COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK633568
Chemical Name: 7-(4-chlorobenzyl)-6-hydroxy-3-methyl-8-[(3-methylbutyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(CCSc1nc2c(n1Cc1ccc(cc1)Cl)c(O)nc(=O)n2C)C

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Molecular Weight: 392.91
Empirical Formula: C18H21ClN4O2S

Physical State: Dry powder
Available Amount: 160 mg

Lipinsky:
logP: 4.593
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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