COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK564614
Chemical Name: 2-[(1E)-1-{2-[7-(2-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]hydrazinylidene}ethyl]phenolate
Smiles: Clc1ccccc1Cn1c(N/N=C(/c2ccccc2[O-])\C)[nH+]c2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 452.9
Empirical Formula: C22H21ClN6O3

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.728
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 107
Number of rings: 4

     

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