COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565928
Chemical Name: 7-(3-bromobenzyl)-8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c(n1Cc1cccc(c1)Br)c(O)nc(=O)n2C

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Molecular Weight: 519.81
Empirical Formula: C21H16BrClN4O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.991
Rotatable bonds: 6
H-donors: 1
H-acceptors: 3
PSA: 113
Number of rings: 4

     

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