COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL003915
Chemical Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(pyrimidin-2-ylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(Sc2ncccn2)nc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 414.88
Empirical Formula: C18H15ClN6O2S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 3.578
Rotatable bonds: 2
H-donors: 0
H-acceptors: 2
PSA: 109
Number of rings: 4

     

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