COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK021537
Chemical Name: 8-[(2E)-2-(5-bromo-2-hydroxybenzylidene)hydrazinyl]-7-(2-hydroxy-3-phenoxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: OC(Cn1c(N/N=C/c2cc(Br)ccc2O)nc2c1c(=O)[nH]c(=O)n2C)COc1ccccc1

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Molecular Weight: 529.35
Empirical Formula: C22H21BrN6O5

Physical State: Dry powder
Available Amount: 172 mg

Lipinsky:
logP: 4.09
Rotatable bonds: 8
H-donors: 4
H-acceptors: 5
PSA: 141
Number of rings: 4

     

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