COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK539841
Chemical Name: 7-(2-chlorobenzyl)-1,3-dimethyl-8-[(2E)-2-(4-nitrobenzylidene)hydrazinyl]-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccccc1Cn1c(N/N=C/c2ccc(cc2)[N+](=O)[O-])nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 467.87
Empirical Formula: C21H18ClN7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.511
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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