COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL341270
Chemical Name: 8-bromo-1,3-dimethyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nnnn1c1ccccc1)c(n2)Br

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Molecular Weight: 463.32
Empirical Formula: C16H15BrN8O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.006
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 127
Number of rings: 4

     

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