COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK838424
Chemical Name: benzyl{[1,3-dimethyl-2,6-dioxo-7-(prop-2-en-1-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: C=CCn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 400.46
Empirical Formula: C19H20N4O4S

Physical State: Dry powder
Available Amount: 299 mg

Lipinsky:
logP: 4.116
Rotatable bonds: 7
H-donors: 0
H-acceptors: 4
PSA: 110
Number of rings: 3

     

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