COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK840476
Chemical Name: 1,3-dimethyl-7-(3-methylbenzyl)-8-(prop-2-en-1-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: C=CCSc1nc2c(n1Cc1cccc(c1)C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 356.45
Empirical Formula: C18H20N4O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.404
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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