COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK565308
Chemical Name: 4-bromo-2-[(E)-{2-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]phenolate
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2cc(Br)ccc2[O-])[nH+]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 517.77
Empirical Formula: C21H18BrClN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.766
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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