COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL380115
Chemical Name: 8-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(Sc2nnc([nH]2)N)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 418.87
Empirical Formula: C16H15ClN8O2S

Physical State: Dry powder
Available Amount: 24 mg

Lipinsky:
logP: 2.886
Rotatable bonds: 4
H-donors: 3
H-acceptors: 2
PSA: 151
Number of rings: 4

     

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