COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK843889
Chemical Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-8-bromo-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c([nH]1)cccc3)c(n2)Br

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Molecular Weight: 435.3
Empirical Formula: C16H15BrN6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.05
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 112
Number of rings: 4

     

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