COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK578729
Chemical Name: 6-hydroxy-3-methyl-8-(4-methylpiperazin-1-yl)-7-[3-(pyrimidin-2-ylsulfanyl)propyl]-3,7-dihydro-2H-purin-2-one
Smiles: CN1CCN(CC1)c1nc2c(n1CCCSc1ncccn1)c(O)nc(=O)n2C

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Molecular Weight: 416.51
Empirical Formula: C18H24N8O2S

Physical State: Dry powder
Available Amount: 297 mg

Lipinsky:
logP: 0.006
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 128
Number of rings: 4

     

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