COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL039955
Chemical Name: 8-[(2-chloro-6-fluorobenzyl)sulfanyl]-7-dodecyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 509.09
Empirical Formula: C25H34ClFN4O2S

Physical State: Dry powder
Available Amount: 64 mg

Lipinsky:
logP: 8.107
Rotatable bonds: 15
H-donors: 1
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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