COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838512
Chemical Name: 1,3-dimethyl-8-[(3-methylbutyl)sulfanyl]-7-(2-methylprop-2-en-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(=C)Cn1c(SCCC(C)C)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 336.46
Empirical Formula: C16H24N4O2S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 4.661
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 2

     

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