COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046270
Chemical Name: 7-[(2E)-but-2-en-1-yl]-6-hydroxy-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Smiles: C/C=C/Cn1c(SCC(=O)C)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 308.36
Empirical Formula: C13H16N4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.396
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 2

     

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