COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL160794
Chemical Name: 3-(4-bromophenyl)-8-hydroxy-5-methyl-9-(3-methylbutyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purin-6-one
Smiles: CC(CCn1c2nnc(n2c2c1c(O)nc(=O)n2C)c1ccc(cc1)Br)C

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Molecular Weight: 431.29
Empirical Formula: C18H19BrN6O2

Physical State: Dry powder
Available Amount: 273 mg

Lipinsky:
logP: 3.227
Rotatable bonds: 4
H-donors: 1
H-acceptors: 2
PSA: 88
Number of rings: 4

     

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