COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK085002
Chemical Name: 3-methyl-8-[(4-nitrobenzyl)sulfanyl]-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: [O-][N+](=O)c1ccc(cc1)CSc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C

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Molecular Weight: 437.48
Empirical Formula: C21H19N5O4S

Physical State: Dry powder
Available Amount: 328 mg

Lipinsky:
logP: 4.329
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 138
Number of rings: 4

     

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