COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086767
Chemical Name: pentyl{[3-methyl-2,6-dioxo-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}acetate
Smiles: CCCCCOC(=O)CSc1nc2c(n1CCc1ccccc1)c(=O)[nH]c(=O)n2C

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Molecular Weight: 430.53
Empirical Formula: C21H26N4O4S

Physical State: Dry powder
Available Amount: 517 mg

Lipinsky:
logP: 5.048
Rotatable bonds: 10
H-donors: 1
H-acceptors: 4
PSA: 118
Number of rings: 3

     

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