COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046504
Chemical Name: 8-[4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-2-oxo-3,7-dihydro-2H-purin-6-olate
Smiles: OCC[NH+]1CCN(CC1)c1nc2c(n1CC(COc1c(Br)cc(cc1Br)Br)O)c([O-])nc(=O)n2C

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Molecular Weight: 681.18
Empirical Formula: C21H25Br3N6O5

Physical State: Dry powder
Available Amount: 319 mg

Lipinsky:
logP: 1.861
Rotatable bonds: 8
H-donors: 3
H-acceptors: 5
PSA: 130
Number of rings: 4

     

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