COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK528852
Chemical Name: 8-bromo-7-[2-hydroxy-3-(4-iodophenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Ic1ccc(cc1)OCC(Cn1c(Br)nc2c1c(=O)n(C)c(=O)n2C)O

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Molecular Weight: 535.14
Empirical Formula: C16H16BrIN4O4

Physical State: Dry powder
Available Amount: 262 mg

Lipinsky:
logP: 4.143
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 87
Number of rings: 3

     

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