COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK557839
Chemical Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-{(2E)-2-[1-(4-nitrophenyl)ethylidene]hydrazinyl}-3,7-dihydro-1H-purine-2,6-dione
Smiles: Clc1ccc(cc1)Cn1c(N/N=C(/c2ccc(cc2)[N+](=O)[O-])\C)nc2c1c(=O)n(c(=O)n2C)C

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Molecular Weight: 481.9
Empirical Formula: C22H20ClN7O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.42
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 128
Number of rings: 4

     

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