COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL336616
Chemical Name: 8-[(4-methoxy-3-nitrobenzyl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: COc1ccc(cc1[N+](=O)[O-])CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 391.41
Empirical Formula: C16H17N5O5S

Physical State: Dry powder
Available Amount: 303 mg

Lipinsky:
logP: 2.628
Rotatable bonds: 4
H-donors: 0
H-acceptors: 5
PSA: 138
Number of rings: 3

     

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