COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK646407
Chemical Name: ethyl2-{[7-(3-bromobenzyl)-6-hydroxy-3-methyl-2-oxo-3,7-dihydro-2H-purin-8-yl]sulfanyl}butanoate
Smiles: CCOC(=O)C(Sc1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=O)n2C)CC

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Molecular Weight: 481.37
Empirical Formula: C19H21BrN4O4S

Physical State: Dry powder
Available Amount: 179 mg

Lipinsky:
logP: 4.338
Rotatable bonds: 9
H-donors: 1
H-acceptors: 4
PSA: 122
Number of rings: 3

     

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