COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL005584
Chemical Name: 1,3-dimethyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(pyrrolidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Smiles: Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nnnn1c1ccccc1)c(n2)N1CCCC1

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Molecular Weight: 453.53
Empirical Formula: C20H23N9O2S

Physical State: Dry powder
Available Amount: 316 mg

Lipinsky:
logP: 2.821
Rotatable bonds: 4
H-donors: 0
H-acceptors: 2
PSA: 130
Number of rings: 5

     

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