COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL045093
Chemical Name: 8-[(2-chloro-6-fluorobenzyl)sulfanyl]-7-hexadecyl-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: CCCCCCCCCCCCCCCCn1c(SCc2c(F)cccc2Cl)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 565.2
Empirical Formula: C29H42ClFN4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 10.232
Rotatable bonds: 19
H-donors: 1
H-acceptors: 2
PSA: 96
Number of rings: 3

     

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