COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL336977
Chemical Name: 7-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)[nH]c(=O)c2c1nc(n2CCSc1nc2c([nH]1)cccc2)N1CCCC1

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Molecular Weight: 411.49
Empirical Formula: C19H21N7O2S

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 2.154
Rotatable bonds: 3
H-donors: 2
H-acceptors: 2
PSA: 124
Number of rings: 5

     

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