COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK561084
Chemical Name: 8-(azepan-1-yl)-7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-6-hydroxy-3-methyl-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c(=O)nc(c2c1nc(n2CCSc1nc2c([nH]1)cccc2)N1CCCCCC1)O

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Molecular Weight: 439.54
Empirical Formula: C21H25N7O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.933
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 127
Number of rings: 5

     

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