COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK074322
Chemical Name: 3-methyl-8-(pentylsulfanyl)-7-(propan-2-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCSc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 310.42
Empirical Formula: C14H22N4O2S

Physical State: Dry powder
Available Amount: 354 mg

Lipinsky:
logP: 3.634
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 2

     

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