COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK560625
Chemical Name: 4-[(E)-{2-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}methyl]-3-hydroxyphenolate
Smiles: Clc1ccc(cc1)Cn1c(N/N=C/c2ccc(cc2O)[O-])[nH+]c2c1c(=O)n(C)c(=O)n2C

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Molecular Weight: 454.87
Empirical Formula: C21H19ClN6O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.327
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 127
Number of rings: 4

     

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