COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK013240
Chemical Name: ethyl2-[(7-heptyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]butanoate
Smiles: CCCCCCCn1c(SC(C(=O)OCC)CC)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 410.54
Empirical Formula: C19H30N4O4S

Physical State: Dry powder
Available Amount: 581 mg

Lipinsky:
logP: 5.328
Rotatable bonds: 12
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 2

     

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