COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK839793
Chemical Name: 7-(2-chlorobenzyl)-8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 479.36
Empirical Formula: C21H17Cl2FN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.694
Rotatable bonds: 5
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 4

     

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