COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK023819
Chemical Name: 7-(4-chlorobenzyl)-8-(hexylsulfanyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C

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Molecular Weight: 406.94
Empirical Formula: C19H23ClN4O2S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 5.658
Rotatable bonds: 7
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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