COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK760734
Chemical Name: methyl2-({[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]acetyl}amino)benzoate
Smiles: COC(=O)c1ccccc1NC(=O)CSc1nc2c(n1C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 417.45
Empirical Formula: C18H19N5O5S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.913
Rotatable bonds: 5
H-donors: 1
H-acceptors: 5
PSA: 139
Number of rings: 3

     

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