COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL343015
Chemical Name: 7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCN1CCN(CC1)c1nc2c(n1CCSc1nc(C)cc(n1)C)c(=O)n(c(=O)n2C)C

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Molecular Weight: 458.59
Empirical Formula: C21H30N8O2S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 2.301
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 116
Number of rings: 4

     

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