COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL040272
Chemical Name: 6-hydroxy-3-methyl-7-{3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one
Smiles: Oc1nc(=O)n(c2c1n(CCCSc1nnnn1c1ccccc1)c(n2)N1CCCC1)C

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Molecular Weight: 453.53
Empirical Formula: C20H23N9O2S

Physical State: Dry powder
Available Amount: 255 mg

Lipinsky:
logP: 1.977
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 142
Number of rings: 5

     

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