COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK000940
Chemical Name: 8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)C(=O)CSc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C

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Molecular Weight: 454.94
Empirical Formula: C22H19ClN4O3S

Physical State: Dry powder
Available Amount: 232 mg

Lipinsky:
logP: 4.986
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 109
Number of rings: 4

     

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