COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055533
Chemical Name: 6-hydroxy-3-methyl-8-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-7-(prop-2-en-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: C=CCn1c(Sc2nnc(s2)C)nc2c1c(O)nc(=O)n2C

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Molecular Weight: 336.4
Empirical Formula: C12H12N6O2S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.628
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 150
Number of rings: 3

     

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