COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539130
Chemical Name: 3-methyl-7-(2-phenylethyl)-8-{[2-(piperidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(CCc1ccccc1)c(n2)SCCN1CCCCC1)C

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Molecular Weight: 413.54
Empirical Formula: C21H27N5O2S

Physical State: Dry powder
Available Amount: 323 mg

Lipinsky:
logP: 4.238
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 95
Number of rings: 4

     

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