COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK805443
Chemical Name: 3-methyl-8-[(2-oxopropyl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCn1c(SCC(=O)C)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 294.33
Empirical Formula: C12H14N4O3S

Physical State: Dry powder
Available Amount: 295 mg

Lipinsky:
logP: 1.224
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 2

     

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