COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL004448
Chemical Name: 8-(azepan-1-yl)-3-methyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)n(c2c1n(CCSc1nnnn1c1ccccc1)c(n2)N1CCCCCC1)C

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Molecular Weight: 467.55
Empirical Formula: C21H25N9O2S

Available Amount: 0 mg

Lipinsky:
logP: 3.239
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 139
Number of rings: 5

     

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