COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528278
Chemical Name: 7-(3-bromobenzyl)-8-[(2-hydroxyethyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OCCSc1nc2c(n1Cc1cccc(c1)Br)c(=O)[nH]c(=O)n2C

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Molecular Weight: 411.28
Empirical Formula: C15H15BrN4O3S

Physical State: Dry powder
Available Amount: 298 mg

Lipinsky:
logP: 2.551
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 112
Number of rings: 3

     

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