COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK527611
Chemical Name: 3-({7-[3-(4-ethylphenoxy)-2-hydroxypropyl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)propanoicacid
Smiles: CCc1ccc(cc1)OCC(Cn1c(SCCC(=O)O)nc2c1c(=O)[nH]c(=O)n2C)O

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Molecular Weight: 448.5
Empirical Formula: C20H24N4O6S

Physical State: Dry powder
Available Amount: 306 mg

Lipinsky:
logP: 2.833
Rotatable bonds: 10
H-donors: 3
H-acceptors: 6
PSA: 159
Number of rings: 3

     

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