COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL002875
Chemical Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(nc2c1c(=O)n(C)c(=O)n2C)Sc1nncn1C

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Molecular Weight: 417.88
Empirical Formula: C17H16ClN7O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.268
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 114
Number of rings: 4

     

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