COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL055958
Chemical Name: 6-hydroxy-8-[4-(2-hydroxyethyl)piperazin-1-yl]-3-methyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-2H-purin-2-one
Smiles: OCCN1CCN(CC1)c1nc2c(n1CCSc1ncccn1)c(O)nc(=O)n2C

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Molecular Weight: 432.51
Empirical Formula: C18H24N8O3S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: -0.478
Rotatable bonds: 6
H-donors: 2
H-acceptors: 3
PSA: 148
Number of rings: 4

     

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