COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL242251
Chemical Name: 8-hydroxy-3-(4-methoxyphenyl)-5-methyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purin-6-one
Smiles: COc1ccc(cc1)c1nnc2n1c1c(n2CCC(C)C)c(O)nc(=O)n1C

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Molecular Weight: 382.42
Empirical Formula: C19H22N6O3

Physical State: Dry powder
Available Amount: 314 mg

Lipinsky:
logP: 2.452
Rotatable bonds: 4
H-donors: 1
H-acceptors: 3
PSA: 97
Number of rings: 4

     

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