COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK833968
Chemical Name: benzyl({7-[(2E)-but-2-en-1-yl]-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetate
Smiles: C/C=C/Cn1c(SCC(=O)OCc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 400.46
Empirical Formula: C19H20N4O4S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.929
Rotatable bonds: 7
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 3

     

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