COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL332590
Chemical Name: 8-[(2-chloro-6-fluorobenzyl)sulfanyl]-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: CC(CCn1c(SCc2c(F)cccc2Cl)nc2c1c(=O)n(c(=O)n2C)C)C

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Molecular Weight: 424.93
Empirical Formula: C19H22ClFN4O2S

Physical State: Dry powder
Available Amount: 185 mg

Lipinsky:
logP: 5.264
Rotatable bonds: 6
H-donors: 0
H-acceptors: 2
PSA: 83
Number of rings: 3

     

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