COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK843060
Chemical Name: 3-methyl-7-(3-methylbenzyl)-8-[(3-oxobutan-2-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)C(Sc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]c(=O)n2C)C

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Molecular Weight: 372.45
Empirical Formula: C18H20N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.98
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 3

     

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