COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK046654
Chemical Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-8-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)OCC(Cn1c(SCC(=O)c2ccc(cc2)Cl)nc2c1c(=O)[nH]c(=O)n2C)O

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Molecular Weight: 535.41
Empirical Formula: C23H20Cl2N4O5S

Physical State: Dry powder
Available Amount: 366 mg

Lipinsky:
logP: 4.885
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 139
Number of rings: 4

     

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