COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038243
Chemical Name: {[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]sulfanyl}acetate
Smiles: C=CCn1c(SCC(=O)[O-])[nH+]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 310.33
Empirical Formula: C12H14N4O4S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 1.806
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 125
Number of rings: 2

     

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