COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK042585
Chemical Name: 4-(2-{[3-methyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}ethoxy)benzoicacid
Smiles: OC(=O)c1ccc(cc1)OCCSc1nc2c(n1C(C)C)c(=O)[nH]c(=O)n2C

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Molecular Weight: 404.45
Empirical Formula: C18H20N4O5S

Available Amount: 0 mg

Lipinsky:
logP: 3.252
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 139
Number of rings: 3

     

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