COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK054396
Chemical Name: 8-(benzylsulfanyl)-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(SCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 412.9
Empirical Formula: C20H17ClN4O2S

Physical State: Dry powder
Available Amount: 310 mg

Lipinsky:
logP: 4.778
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 4

     

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