COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK554769
Chemical Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(SCCN2CCCCC2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 447.99
Empirical Formula: C21H26ClN5O2S

Physical State: Dry powder
Available Amount: 325 mg

Lipinsky:
logP: 5.128
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 86
Number of rings: 4

     

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