COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839772
Chemical Name: 1,3-dimethyl-8-[(2-oxo-2-phenylethyl)sulfanyl]-7-(3-phenylpropyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=C(c1ccccc1)CSc1nc2c(n1CCCc1ccccc1)c(=O)n(c(=O)n2C)C

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Molecular Weight: 448.55
Empirical Formula: C24H24N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.442
Rotatable bonds: 6
H-donors: 0
H-acceptors: 3
PSA: 100
Number of rings: 4

     

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