COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK024208
Chemical Name: 8-[(2E)-2-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)hydrazinyl]-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C\2/C(=O)Nc3c2cc(Br)cc3)nc2c1c(=O)[nH]c(=O)n2C

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Molecular Weight: 528.75
Empirical Formula: C21H15BrClN7O3

Physical State: Dry powder
Available Amount: 491 mg

Lipinsky:
logP: 4.106
Rotatable bonds: 2
H-donors: 3
H-acceptors: 3
PSA: 120
Number of rings: 5

     

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