COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL008211
Chemical Name: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-{3-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: O=c1[nH]c(=O)c2c(n1C)nc(n2CCCSc1nnnn1c1ccccc1)N1CCC(CC1)Cc1ccccc1

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Molecular Weight: 557.68
Empirical Formula: C28H31N9O2S

Available Amount: 0 mg

Lipinsky:
logP: 4.883
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 139
Number of rings: 6

     

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