COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL148485
Chemical Name: 8-{[3-(8-bromo-2-hydroxy-3-methyl-6-oxo-3,6-dihydro-7H-purin-7-yl)propyl]sulfanyl}-7-(2-chlorobenzyl)-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1ccccc1Cn1c(SCCCn2c(Br)nc3c2c(=O)nc(n3C)O)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 607.88
Empirical Formula: C22H20BrClN8O4S

Physical State: Dry powder
Available Amount: 301 mg

Lipinsky:
logP: 3.381
Rotatable bonds: 9
H-donors: 2
H-acceptors: 4
PSA: 166
Number of rings: 5

     

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