COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840086
Chemical Name: 1,3-dimethyl-8-[(2-oxopropyl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=O)CSc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

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Molecular Weight: 386.47
Empirical Formula: C19H22N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.73
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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