COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL059006
Chemical Name: 8-[(2,3-dihydroxypropyl)sulfanyl]-3-methyl-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCC(CSc1nc2c(n1CC(=C)C)c(=O)[nH]c(=O)n2C)O

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Molecular Weight: 326.38
Empirical Formula: C13H18N4O4S

Physical State: Dry powder
Available Amount: 96 mg

Lipinsky:
logP: 0.761
Rotatable bonds: 8
H-donors: 3
H-acceptors: 4
PSA: 132
Number of rings: 2

     

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