COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK558311
Chemical Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-[(2-phenylethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(SCCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 440.95
Empirical Formula: C22H21ClN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.904
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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