COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004579
Chemical Name: 1,3-dimethyl-8-[(2-methylprop-2-en-1-yl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)CSc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

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Molecular Weight: 384.5
Empirical Formula: C20H24N4O2S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 5.344
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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