COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045592
Chemical Name: 8-[(4-chlorobenzyl)sulfanyl]-7-(2-ethoxyethyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCOCCn1c(SCc2ccc(cc2)Cl)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 394.88
Empirical Formula: C17H19ClN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.193
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 105
Number of rings: 3

     

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