COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL001153
Chemical Name: 3-methyl-7-(3-methylbenzyl)-8-[(naphthalen-2-ylmethyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cc1cccc(c1)Cn1c(SCc2ccc3c(c2)cccc3)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 442.54
Empirical Formula: C25H22N4O2S

Available Amount: 0 mg

Lipinsky:
logP: 5.874
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 92
Number of rings: 5

     

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