COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL151003
Chemical Name: [(1,3-dimethyl-2,6-dioxo-7-pentyl-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)sulfanyl]acetate
Smiles: CCCCCn1c(SCC(=O)[O-])[nH+]c2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 340.4
Empirical Formula: C14H20N4O4S

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 3.103
Rotatable bonds: 6
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 2

     

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