COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK589261
Chemical Name: 8-bromo-6-hydroxy-3-methyl-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCCSc1ncccn1)c(n2)Br)C

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Molecular Weight: 397.26
Empirical Formula: C13H13BrN6O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.739
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 121
Number of rings: 3

     

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