COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK550151
Chemical Name: 8-bromo-1,3-dimethyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCSc1ncccn1)c(n2)Br

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Molecular Weight: 397.26
Empirical Formula: C13H13BrN6O2S

Physical State: Dry powder
Available Amount: 315 mg

Lipinsky:
logP: 2.583
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 109
Number of rings: 3

     

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