COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK015907
Chemical Name: 8-[(3-bromobenzyl)sulfanyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Brc1cccc(c1)CSc1nc2c(n1CC(COc1ccccc1)O)c(=O)[nH]c(=O)n2C

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Molecular Weight: 517.4
Empirical Formula: C22H21BrN4O4S

Physical State: Dry powder
Available Amount: 333 mg

Lipinsky:
logP: 4.584
Rotatable bonds: 8
H-donors: 2
H-acceptors: 4
PSA: 121
Number of rings: 4

     

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