COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK559773
Chemical Name: 7-(3-bromobenzyl)-6-hydroxy-3-methyl-8-[(2-oxopropyl)sulfanyl]-3,7-dihydro-2H-purin-2-one
Smiles: CC(=O)CSc1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=O)n2C

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Molecular Weight: 423.29
Empirical Formula: C16H15BrN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.594
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 3

     

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