COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK681232
Chemical Name: 7-(3,4-diethoxybenzyl)-1,3-dimethyl-8-{[3-(trifluoromethyl)benzyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: CCOc1ccc(cc1OCC)Cn1c(SCc2cccc(c2)C(F)(F)F)nc2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 548.59
Empirical Formula: C26H27F3N4O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 6.265
Rotatable bonds: 9
H-donors: 0
H-acceptors: 4
PSA: 102
Number of rings: 4

     

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