COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK541050
Chemical Name: 1,3-dimethyl-8-[(4-methylbenzyl)sulfanyl]-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(SCc2ccc(cc2)C)nc2c1c(=O)n(c(=O)n2C)C)C

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Molecular Weight: 386.52
Empirical Formula: C20H26N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.518
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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