COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK028064
Chemical Name: 7-(4-chlorobenzyl)-8-[(2-chlorobenzyl)sulfanyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(SCc2ccccc2Cl)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 447.34
Empirical Formula: C20H16Cl2N4O2S

Physical State: Dry powder
Available Amount: 418 mg

Lipinsky:
logP: 5.373
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 4

     

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