COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK835128
Chemical Name: 3-methyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-7-pentyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCCCCn1c(SCC(=O)c2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 386.47
Empirical Formula: C19H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.233
Rotatable bonds: 7
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 3

     

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