COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL006084
Chemical Name: 7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-8-[benzyl(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: CN(c1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)[nH]c(=O)n2C)Cc1ccccc1

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Molecular Weight: 478.6
Empirical Formula: C23H22N6O2S2

Available Amount: 0 mg

Lipinsky:
logP: 4.35
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 136
Number of rings: 5

     

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