COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK634715
Chemical Name: 8-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinyl]-6-hydroxy-3-methyl-7-octyl-3,7-dihydro-2H-purin-2-one
Smiles: Cn1c2nc(n(c2c(nc1=O)O)CCCCCCCC)N/N=C/c1cc(Br)ccc1O

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Molecular Weight: 491.39
Empirical Formula: C21H27BrN6O3

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 6.054
Rotatable bonds: 11
H-donors: 3
H-acceptors: 3
PSA: 115
Number of rings: 3

     

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