COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL194119
Chemical Name: methyl4-{[(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]methyl}benzoate
Smiles: COC(=O)c1ccc(cc1)CSc1[nH]c2c(n1)n(C)c(=O)n(c2=O)C

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Molecular Weight: 360.39
Empirical Formula: C16H16N4O4S

Physical State: Dry powder
Available Amount: 95 mg

Lipinsky:
logP: 2.973
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 120
Number of rings: 3

     

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