COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL047182
Chemical Name: methyl2-{[7-(2-chlorobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}propanoate
Smiles: COC(=O)C(Sc1nc2c(n1Cc1ccccc1Cl)c(O)nc(=O)n2C)C

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Molecular Weight: 408.87
Empirical Formula: C17H17ClN4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.099
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 3

     

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