COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK045786
Chemical Name: 7-(4-chlorobenzyl)-8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 475.35
Empirical Formula: C21H16Cl2N4O3S

Physical State: Dry powder
Available Amount: 332 mg

Lipinsky:
logP: 5.165
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 4

     

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