COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK039589
Chemical Name: 7-(4-chlorobenzyl)-8-{[(2E)-3-chlorobut-2-en-1-yl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: C/C(=C\CSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)[nH]c(=O)n2C)/Cl

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Molecular Weight: 411.31
Empirical Formula: C17H16Cl2N4O2S

Physical State: Dry powder
Available Amount: 434 mg

Lipinsky:
logP: 5.038
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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