COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK535613
Chemical Name: 7-(2-chlorobenzyl)-8-(hexylsulfanyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCSc1nc2c(n1Cc1ccccc1Cl)c(=O)n(c(=O)n2C)C

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Molecular Weight: 420.96
Empirical Formula: C20H25ClN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.368
Rotatable bonds: 8
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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