COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK542681
Chemical Name: 8-(benzylsulfanyl)-7-hexyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCCn1c(SCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 386.52
Empirical Formula: C20H26N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.773
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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